5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

C19H19ClN2O4S — CID 3013827

IUPAC5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C19H19ClN2O4S/c1-11-3-6-16(12(2)9-11)27(25,26)18-14-10-13(20)4-5-15(14)22-17(18)19(24)21-7-8-23/h3-6,9-10,22-23H,7-8H2,1-2H3,(H,21,24)
InChIKeyUBSBGHWGCHMFSE-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.99
Rot. Bonds5

About 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (PubChem CID 3013827) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
PubChem CID3013827
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C19H19ClN2O4S/c1-11-3-6-16(12(2)9-11)27(25,26)18-14-10-13(20)4-5-15(14)22-17(18)19(24)21-7-8-23/h3-6,9-10,22-23H,7-8H2,1-2H3,(H,21,24)
InChIKeyUBSBGHWGCHMFSE-UHFFFAOYSA-N
XLogP2.99
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013828
methyl 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate
CID 11143341
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506872
5-chloro-3-(2,6-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 118722692
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-[(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
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-ethylsulfonyl-1H-indole-2-carboxamide
CID 155519742
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
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-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (CID 3013827) is 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is Cc1ccc(S(=O)(=O)c2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)c(C)c1.
What is the InChIKey of 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The InChIKey is UBSBGHWGCHMFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-11-3-6-16(12(2)9-11)27(25,26)18-14-10-13(20)4-5-15(14)22-17(18)19(24)21-7-8-23/h3-6,9-10,22-23H,7-8H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide has a molecular weight of 406.89 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 3013827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).