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

C19H19ClN2O4S — CID 3013828

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESCC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCCO)C
InChIInChI=1S/C19H19ClN2O4S/c1-11-7-12(2)9-14(8-11)27(25,26)18-15-10-13(20)3-4-16(15)22-17(18)19(24)21-5-6-23/h3-4,7-10,22-23H,5-6H2,1-2H3,(H,21,24)
InChIKeyJOZFSPWNVMGCMA-UHFFFAOYSA-N
MW406.90 g/mol
LogP3.10
Rot. Bonds5

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

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (PubChem CID 3013828) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.90 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
PubChem CID3013828
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.90 g/mol
Exact Mass406.08
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESCC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCCO)C
InChIInChI=1S/C19H19ClN2O4S/c1-11-7-12(2)9-14(8-11)27(25,26)18-15-10-13(20)3-4-16(15)22-17(18)19(24)21-5-6-23/h3-4,7-10,22-23H,5-6H2,1-2H3,(H,21,24)
InChIKeyJOZFSPWNVMGCMA-UHFFFAOYSA-N
XLogP3.10
TPSA108.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity628

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
5-Chloro-3-phenylthioindole-2-carboxamide
CID 189896
5-chloro-N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454852
3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxamide
CID 454853
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-(2-hydroxyethyl)-1H-indole-2-carbohydrazide
CID 510647
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
CID 10271170
3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 11948688
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)sulfonyl]-
CID 506867
1H-Indole-2-carboxamide, 5-chloro-3-[(2-methylphenyl)sulfonyl]-
CID 506865
1H-Indole-2-carboxamide, 5-chloro-3-[(3-methylphenyl)sulfonyl]-
CID 506866
1H-Indole-2-carboxamide, 5-chloro-3-[(2,6-dichlorophenyl)sulfonyl]-
CID 506874

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (CID 3013828) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCCO)C.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The InChIKey is JOZFSPWNVMGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-11-7-12(2)9-14(8-11)27(25,26)18-15-10-13(20)3-4-16(15)22-17(18)19(24)21-5-6-23/h3-4,7-10,22-23H,5-6H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide has a molecular weight of 406.90 g/mol, XLogP of 3.10, 5 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-(2-hydroxyethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 3013828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).