5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate

C114H90Cl7F5N12O23S6 — CID 160884912

IUPAC5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Cc2ccc(C)cc2F)c1.COc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)Cc1cc(-c2ccccc2)ccc1F.COc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2nn[nH]n2)cc(Cl)c1O.COc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2nn[nH]n2)cc(Cl)c1OC.Cc1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.O=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C22H19ClN4O4S.C21H16ClFO5S.C21H17ClN4O4S.C20H13ClF2N4O2S.C16H14ClFO5S.C14H11Cl2FO3S/c1-30-19-9-8-15(14-6-4-3-5-7-14)10-17(19)13-32(28,29)20-12-16(22-24-26-27-25-22)11-18(23)21(20)31-2;1-28-20-17(22)10-15(21(24)25)11-19(20)29(26,27)12-16-9-14(7-8-18(16)23)13-5-3-2-4-6-13;1-30-18-8-7-14(13-5-3-2-4-6-13)9-16(18)12-31(28,29)19-11-15(10-17(22)20(19)27)21-23-25-26-24-21;21-15-6-13(20-24-26-27-25-20)7-16(9-15)30(28,29)11-14-8-17(19(23)10-18(14)22)12-4-2-1-3-5-12;1-9-3-4-10(13(18)5-9)8-24(21,22)14-7-11(16(20)23-2)6-12(17)15(14)19;1-8-2-3-12(17)9(4-8)7-21(19,20)13-6-10(15)5-11(16)14(13)18/h3-12H,13H2,1-2H3,(H,24,25,26,27);2-11H,12H2,1H3,(H,24,25);2-11,27H,12H2,1H3,(H,23,24,25,26);1-10H,11H2,(H,24,25,26,27);3-7,19H,8H2,1-2H3;2-6,18H,7H2,1H3
InChIKeySNMYWAIFNFFXNE-UHFFFAOYSA-N
MW2531.60 g/mol
LogP24.69
Rot. Bonds31

About 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate

5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate (PubChem CID 160884912) has the molecular formula C114H90Cl7F5N12O23S6 and a molecular weight of 2531.60 g/mol. Its IUPAC name is 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate.

Molecular Properties

Compound Name5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate
PubChem CID160884912
Molecular FormulaC114H90Cl7F5N12O23S6
Molecular Weight2531.60 g/mol
Exact Mass2526.23
IUPAC Name5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Cc2ccc(C)cc2F)c1.COc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)Cc1cc(-c2ccccc2)ccc1F.COc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2nn[nH]n2)cc(Cl)c1O.COc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2nn[nH]n2)cc(Cl)c1OC.Cc1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.O=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C22H19ClN4O4S.C21H16ClFO5S.C21H17ClN4O4S.C20H13ClF2N4O2S.C16H14ClFO5S.C14H11Cl2FO3S/c1-30-19-9-8-15(14-6-4-3-5-7-14)10-17(19)13-32(28,29)20-12-16(22-24-26-27-25-22)11-18(23)21(20)31-2;1-28-20-17(22)10-15(21(24)25)11-19(20)29(26,27)12-16-9-14(7-8-18(16)23)13-5-3-2-4-6-13;1-30-18-8-7-14(13-5-3-2-4-6-13)9-16(18)12-31(28,29)19-11-15(10-17(22)20(19)27)21-23-25-26-24-21;21-15-6-13(20-24-26-27-25-20)7-16(9-15)30(28,29)11-14-8-17(19(23)10-18(14)22)12-4-2-1-3-5-12;1-9-3-4-10(13(18)5-9)8-24(21,22)14-7-11(16(20)23-2)6-12(17)15(14)19;1-8-2-3-12(17)9(4-8)7-21(19,20)13-6-10(15)5-11(16)14(13)18/h3-12H,13H2,1-2H3,(H,24,25,26,27);2-11H,12H2,1H3,(H,24,25);2-11,27H,12H2,1H3,(H,23,24,25,26);1-10H,11H2,(H,24,25,26,27);3-7,19H,8H2,1-2H3;2-6,18H,7H2,1H3
InChIKeySNMYWAIFNFFXNE-UHFFFAOYSA-N
XLogP24.69
TPSA529.43 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.60
LogP ≤ 524.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate?
The IUPAC name of 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate (CID 160884912) is 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate.
What is the SMILES notation for 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate?
The canonical SMILES for 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate is COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Cc2ccc(C)cc2F)c1.COc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)Cc1cc(-c2ccccc2)ccc1F.COc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2nn[nH]n2)cc(Cl)c1O.COc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2nn[nH]n2)cc(Cl)c1OC.Cc1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.O=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate?
The InChIKey is SNMYWAIFNFFXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S.C21H16ClFO5S.C21H17ClN4O4S.C20H13ClF2N4O2S.C16H14ClFO5S.C14H11Cl2FO3S/c1-30-19-9-8-15(14-6-4-3-5-7-14)10-17(19)13-32(28,29)20-12-16(22-24-26-27-25-22)11-18(23)21(20)31-2;1-28-20-17(22)10-15(21(24)25)11-19(20)29(26,27)12-16-9-14(7-8-18(16)23)13-5-3-2-4-6-13;1-30-18-8-7-14(13-5-3-2-4-6-13)9-16(18)12-31(28,29)19-11-15(10-17(22)20(19)27)21-23-25-26-24-21;21-15-6-13(20-24-26-27-25-20)7-16(9-15)30(28,29)11-14-8-17(19(23)10-18(14)22)12-4-2-1-3-5-12;1-9-3-4-10(13(18)5-9)8-24(21,22)14-7-11(16(20)23-2)6-12(17)15(14)19;1-8-2-3-12(17)9(4-8)7-21(19,20)13-6-10(15)5-11(16)14(13)18/h3-12H,13H2,1-2H3,(H,24,25,26,27);2-11H,12H2,1H3,(H,24,25);2-11,27H,12H2,1H3,(H,23,24,25,26);1-10H,11H2,(H,24,25,26,27);3-7,19H,8H2,1-2H3;2-6,18H,7H2,1H3.
What are the key properties of 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate?
5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate has a molecular weight of 2531.60 g/mol, XLogP of 24.69, 31 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate is sourced from PubChem (CID 160884912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).