5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide

C52H59BrF2N10O7S2Si — CID 159763422

IUPAC5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2Nc2n[nH]c(S(=O)(=O)c3ccccc3)n2)ccn1.C[Si](C)(C)CCOCn1nc(-c2ccccc2)nc1Br.O=S=O
InChIInChI=1S/C23H22FN5O3S.C15H17FN2O.C14H20BrN3OSi.O2S/c1-14(2)18-12-16(24)13-19(15-9-10-25-20(11-15)32-3)21(18)26-22-27-23(29-28-22)33(30,31)17-7-5-4-6-8-17;1-9(2)12-7-11(16)8-13(15(12)17)10-4-5-18-14(6-10)19-3;1-20(2,3)10-9-19-11-18-14(15)16-13(17-18)12-7-5-4-6-8-12;1-3-2/h4-14H,1-3H3,(H2,26,27,28,29);4-9H,17H2,1-3H3;4-8H,9-11H2,1-3H3;
InChIKeyNFEQKGRHIHTAIJ-UHFFFAOYSA-N
MW1146.23 g/mol
LogP11.67
Rot. Bonds16

About 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide

5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide (PubChem CID 159763422) has the molecular formula C52H59BrF2N10O7S2Si and a molecular weight of 1146.23 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide
PubChem CID159763422
Molecular FormulaC52H59BrF2N10O7S2Si
Molecular Weight1146.23 g/mol
Exact Mass1144.29
IUPAC Name5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2Nc2n[nH]c(S(=O)(=O)c3ccccc3)n2)ccn1.C[Si](C)(C)CCOCn1nc(-c2ccccc2)nc1Br.O=S=O
InChIInChI=1S/C23H22FN5O3S.C15H17FN2O.C14H20BrN3OSi.O2S/c1-14(2)18-12-16(24)13-19(15-9-10-25-20(11-15)32-3)21(18)26-22-27-23(29-28-22)33(30,31)17-7-5-4-6-8-17;1-9(2)12-7-11(16)8-13(15(12)17)10-4-5-18-14(6-10)19-3;1-20(2,3)10-9-19-11-18-14(15)16-13(17-18)12-7-5-4-6-8-12;1-3-2/h4-14H,1-3H3,(H2,26,27,28,29);4-9H,17H2,1-3H3;4-8H,9-11H2,1-3H3;
InChIKeyNFEQKGRHIHTAIJ-UHFFFAOYSA-N
XLogP11.67
TPSA232.08 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.23
LogP ≤ 511.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate;methyl 3-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]propanoate
CID 161436995
5-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine
CID 150762948
3-[[5-[4-fluoro-2-(2-fluoro-4-pyridinyl)-6-propan-2-ylanilino]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]-2-methylpropanoic acid
CID 175339965
N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
CID 153356927
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;1-[1-[[3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine;5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;1-[1-[[5-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]pyrrolidin-3-yl]-N,N-dimethylmethanamine
CID 162063463
2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline
CID 153356943
benzenesulfonamide;N-(benzenesulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 159403926
2-[[5-(benzenesulfonyl)-3-bromo-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153356807
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-yl]sulfonylacetamide
CID 155463998
2-(2-ethynyl-4-pyridinyl)-4-fluoro-6-propan-2-ylaniline
CID 155313290
ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
CID 177094829
1-[1-[[4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-pyridinyl]oxy]-2-methylpropan-2-yl]pyrazole-3-sulfinamide
CID 156641148

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide?
The IUPAC name of 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide (CID 159763422) is 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide is COc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2Nc2n[nH]c(S(=O)(=O)c3ccccc3)n2)ccn1.C[Si](C)(C)CCOCn1nc(-c2ccccc2)nc1Br.O=S=O.
What is the InChIKey of 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide?
The InChIKey is NFEQKGRHIHTAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S.C15H17FN2O.C14H20BrN3OSi.O2S/c1-14(2)18-12-16(24)13-19(15-9-10-25-20(11-15)32-3)21(18)26-22-27-23(29-28-22)33(30,31)17-7-5-4-6-8-17;1-9(2)12-7-11(16)8-13(15(12)17)10-4-5-18-14(6-10)19-3;1-20(2,3)10-9-19-11-18-14(15)16-13(17-18)12-7-5-4-6-8-12;1-3-2/h4-14H,1-3H3,(H2,26,27,28,29);4-9H,17H2,1-3H3;4-8H,9-11H2,1-3H3;.
What are the key properties of 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide?
5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide has a molecular weight of 1146.23 g/mol, XLogP of 11.67, 16 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine;2-[(5-bromo-3-phenyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane;4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylaniline;sulfur dioxide is sourced from PubChem (CID 159763422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).