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

C23H17ClN4O3S — CID 134815423

IUPAC5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3cc(C#N)ccn3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C23H17ClN4O3S/c1-13-7-14(2)9-17(8-13)32(30,31)22-18-11-16(24)3-4-19(18)27-21(22)23(29)28-20-10-15(12-25)5-6-26-20/h3-11,27H,1-2H3,(H,26,28,29)
InChIKeyIMWNGTQZVUBIMA-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.79
Rot. Bonds4

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

5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 134815423) has the molecular formula C23H17ClN4O3S and a molecular weight of 464.93 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID134815423
Molecular FormulaC23H17ClN4O3S
Molecular Weight464.93 g/mol
Exact Mass464.07
IUPAC Name5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3cc(C#N)ccn3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C23H17ClN4O3S/c1-13-7-14(2)9-17(8-13)32(30,31)22-18-11-16(24)3-4-19(18)27-21(22)23(29)28-20-10-15(12-25)5-6-26-20/h3-11,27H,1-2H3,(H,26,28,29)
InChIKeyIMWNGTQZVUBIMA-UHFFFAOYSA-N
XLogP4.79
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (CID 134815423) is 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3cc(C#N)ccn3)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is IMWNGTQZVUBIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3S/c1-13-7-14(2)9-17(8-13)32(30,31)22-18-11-16(24)3-4-19(18)27-21(22)23(29)28-20-10-15(12-25)5-6-26-20/h3-11,27H,1-2H3,(H,26,28,29).
What are the key properties of 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-2-pyridinyl)-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 134815423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).