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

C24H22ClN3O3S — CID 118722694

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccncc3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)
InChIKeyWOULWISOHTZRJX-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.16
Rot. Bonds5

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

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide (PubChem CID 118722694) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide
PubChem CID118722694
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccncc3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)
InChIKeyWOULWISOHTZRJX-UHFFFAOYSA-N
XLogP5.16
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-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

3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
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
Gsk983
CID 11416123
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)sulfonyl]-
CID 506867
N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66609622
1H-Indole-2-carboxamide, 5-chloro-3-[(2-methylphenyl)sulfonyl]-
CID 506865
1H-Indole-2-carboxamide, 5-chloro-3-[(3-methylphenyl)sulfonyl]-
CID 506866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide (CID 118722694) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccncc3)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is WOULWISOHTZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29).
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 467.98 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 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-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 118722694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).