5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol

C16H14ClNO3S — CID 70947557

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol
SMILESCc1cc(C)cc(S(=O)(=O)c2c(O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C16H14ClNO3S/c1-9-5-10(2)7-12(6-9)22(20,21)15-13-8-11(17)3-4-14(13)18-16(15)19/h3-8,18-19H,1-2H3
InChIKeyHLNRKCCAPMRIPS-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.98
Rot. Bonds2

About 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol (PubChem CID 70947557) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol
PubChem CID70947557
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol
SMILESCc1cc(C)cc(S(=O)(=O)c2c(O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C16H14ClNO3S/c1-9-5-10(2)7-12(6-9)22(20,21)15-13-8-11(17)3-4-14(13)18-16(15)19/h3-8,18-19H,1-2H3
InChIKeyHLNRKCCAPMRIPS-UHFFFAOYSA-N
XLogP3.98
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-ethylsulfonyl-1H-indole-2-carboxamide
CID 155519742
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013828
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide
CID 162650463
N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 155565781
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 162645271
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 90676827
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]-1H-indole-2-carboxamide
CID 166068026
ethyl 2-[[2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 11318113
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-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
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-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol (CID 70947557) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol is Cc1cc(C)cc(S(=O)(=O)c2c(O)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol?
The InChIKey is HLNRKCCAPMRIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-9-5-10(2)7-12(6-9)22(20,21)15-13-8-11(17)3-4-14(13)18-16(15)19/h3-8,18-19H,1-2H3.
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol has a molecular weight of 335.81 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol is sourced from PubChem (CID 70947557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).