2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole

C99H87FN42O19S10 — CID 159982925

IUPAC2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole
SMILESCOc1cccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.COc1cncc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.CS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccco2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1.Cc1csc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.Cn1ccnc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O3S.C13H10FN5O2S.C13H12N6O3S.C12H12N6O2S.C12H10N6O2S.C12H11N5O2S2.C12H10N4O3S.C11H9N5O2S2/c1-22-12-8-4-6-10(15-12)9-5-3-7-11(23(2,20)21)13(9)14-16-18-19-17-14;1-22(20,21)10-6-2-4-8(9-5-3-7-11(14)15-9)12(10)13-16-18-19-17-13;1-22-11-7-14-6-9(15-11)8-4-3-5-10(23(2,20)21)12(8)13-16-18-19-17-13;1-18-7-6-13-12(18)8-4-3-5-9(21(2,19)20)10(8)11-14-16-17-15-11;1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12;1-7-6-20-12(13-7)8-4-3-5-9(21(2,18)19)10(8)11-14-16-17-15-11;1-20(17,18)10-6-2-4-8(9-5-3-7-19-9)11(10)12-13-15-16-14-12;1-20(17,18)8-4-2-3-7(11-12-5-6-19-11)9(8)10-13-15-16-14-10/h3-8H,1-2H3,(H,16,17,18,19);2-7H,1H3,(H,16,17,18,19);3-7H,1-2H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,15,16,17,18);3-6H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,13,14,15,16);2-6H,1H3,(H,13,14,15,16)
InChIKeyOFZRCMDZJOFDNB-UHFFFAOYSA-N
MW2508.73 g/mol
LogP9.57
Rot. Bonds26

About 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole

2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole (PubChem CID 159982925) has the molecular formula C99H87FN42O19S10 and a molecular weight of 2508.73 g/mol. Its IUPAC name is 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole
PubChem CID159982925
Molecular FormulaC99H87FN42O19S10
Molecular Weight2508.73 g/mol
Exact Mass2506.43
IUPAC Name2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole
SMILESCOc1cccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.COc1cncc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.CS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccco2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1.Cc1csc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.Cn1ccnc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O3S.C13H10FN5O2S.C13H12N6O3S.C12H12N6O2S.C12H10N6O2S.C12H11N5O2S2.C12H10N4O3S.C11H9N5O2S2/c1-22-12-8-4-6-10(15-12)9-5-3-7-11(23(2,20)21)13(9)14-16-18-19-17-14;1-22(20,21)10-6-2-4-8(9-5-3-7-11(14)15-9)12(10)13-16-18-19-17-13;1-22-11-7-14-6-9(15-11)8-4-3-5-10(23(2,20)21)12(8)13-16-18-19-17-13;1-18-7-6-13-12(18)8-4-3-5-9(21(2,19)20)10(8)11-14-16-17-15-11;1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12;1-7-6-20-12(13-7)8-4-3-5-9(21(2,18)19)10(8)11-14-16-17-15-11;1-20(17,18)10-6-2-4-8(9-5-3-7-19-9)11(10)12-13-15-16-14-12;1-20(17,18)8-4-2-3-7(11-12-5-6-19-11)9(8)10-13-15-16-14-10/h3-8H,1-2H3,(H,16,17,18,19);2-7H,1H3,(H,16,17,18,19);3-7H,1-2H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,15,16,17,18);3-6H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,13,14,15,16);2-6H,1H3,(H,13,14,15,16)
InChIKeyOFZRCMDZJOFDNB-UHFFFAOYSA-N
XLogP9.57
TPSA861.34 Ų
H-Bond Donors8
H-Bond Acceptors55
Rotatable Bonds26
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002508.73
LogP ≤ 59.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole with MolForge

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Related Compounds

2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid
CID 157173777
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157284470
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 157861504
cumene;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157997535
2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 158032619
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 158754663
cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene
CID 160745627
4-[4-[3-(amino-methylidene-oxo-lambda6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole
CID 161256694
N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
CID 167598135

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole (CID 159982925) is 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole is COc1cccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.COc1cncc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.CS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccco2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1.Cc1csc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.Cn1ccnc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole?
The InChIKey is OFZRCMDZJOFDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S.C13H10FN5O2S.C13H12N6O3S.C12H12N6O2S.C12H10N6O2S.C12H11N5O2S2.C12H10N4O3S.C11H9N5O2S2/c1-22-12-8-4-6-10(15-12)9-5-3-7-11(23(2,20)21)13(9)14-16-18-19-17-14;1-22(20,21)10-6-2-4-8(9-5-3-7-11(14)15-9)12(10)13-16-18-19-17-13;1-22-11-7-14-6-9(15-11)8-4-3-5-10(23(2,20)21)12(8)13-16-18-19-17-13;1-18-7-6-13-12(18)8-4-3-5-9(21(2,19)20)10(8)11-14-16-17-15-11;1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12;1-7-6-20-12(13-7)8-4-3-5-9(21(2,18)19)10(8)11-14-16-17-15-11;1-20(17,18)10-6-2-4-8(9-5-3-7-19-9)11(10)12-13-15-16-14-12;1-20(17,18)8-4-2-3-7(11-12-5-6-19-11)9(8)10-13-15-16-14-10/h3-8H,1-2H3,(H,16,17,18,19);2-7H,1H3,(H,16,17,18,19);3-7H,1-2H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,15,16,17,18);3-6H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,13,14,15,16);2-6H,1H3,(H,13,14,15,16).
What are the key properties of 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole?
2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole has a molecular weight of 2508.73 g/mol, XLogP of 9.57, 26 rotatable bonds, 8 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 159982925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).