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

C24H22ClN3O3S — CID 118722695

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccccn3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-18(11-14)32(30,31)23-19-13-17(25)7-8-21(19)28-22(23)24(29)27-16(3)20-6-4-5-9-26-20/h4-13,16,28H,1-3H3,(H,27,29)
InChIKeyKXBYACQQJJSRDU-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.16
Rot. Bonds5

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

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide (PubChem CID 118722695) 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-2-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
PubChem CID118722695
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccccn3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-18(11-14)32(30,31)23-19-13-17(25)7-8-21(19)28-22(23)24(29)27-16(3)20-6-4-5-9-26-20/h4-13,16,28H,1-3H3,(H,27,29)
InChIKeyKXBYACQQJJSRDU-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide (CID 118722695) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccccn3)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is KXBYACQQJJSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-18(11-14)32(30,31)23-19-13-17(25)7-8-21(19)28-22(23)24(29)27-16(3)20-6-4-5-9-26-20/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-2-ylethyl)-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(1-pyridin-2-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-2-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 118722695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).