5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide

C23H19ClN2O4S — CID 162650463

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3cccc(O)c3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C23H19ClN2O4S/c1-13-8-14(2)10-18(9-13)31(29,30)22-19-11-15(24)6-7-20(19)26-21(22)23(28)25-16-4-3-5-17(27)12-16/h3-12,26-27H,1-2H3,(H,25,28)
InChIKeyGBGKBSOFUOXMJJ-UHFFFAOYSA-N
MW454.94 g/mol
LogP5.23
Rot. Bonds4

About 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide (PubChem CID 162650463) has the molecular formula C23H19ClN2O4S and a molecular weight of 454.94 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide
PubChem CID162650463
Molecular FormulaC23H19ClN2O4S
Molecular Weight454.94 g/mol
Exact Mass454.08
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3cccc(O)c3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C23H19ClN2O4S/c1-13-8-14(2)10-18(9-13)31(29,30)22-19-11-15(24)6-7-20(19)26-21(22)23(28)25-16-4-3-5-17(27)12-16/h3-12,26-27H,1-2H3,(H,25,28)
InChIKeyGBGKBSOFUOXMJJ-UHFFFAOYSA-N
XLogP5.23
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 162645271
N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 155565781
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013828
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 90676827
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol
CID 70947557
5-chloro-N-[2-(cyclopropylsulfonylamino)ethyl]-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 166068006
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 51353994
N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 3010616
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]-1H-indole-2-carboxamide
CID 175442318
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane
CID 142861988
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 162672746

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide (CID 162650463) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3cccc(O)c3)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is GBGKBSOFUOXMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4S/c1-13-8-14(2)10-18(9-13)31(29,30)22-19-11-15(24)6-7-20(19)26-21(22)23(28)25-16-4-3-5-17(27)12-16/h3-12,26-27H,1-2H3,(H,25,28).
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 162650463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).