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

C22H18ClN3O3S — CID 118722689

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3ccncc3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C22H18ClN3O3S/c1-13-9-14(2)11-17(10-13)30(28,29)21-18-12-15(23)3-4-19(18)26-20(21)22(27)25-16-5-7-24-8-6-16/h3-12,26H,1-2H3,(H,24,25,27)
InChIKeyUCIBYDRYTVJJRQ-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.92
Rot. Bonds4

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

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide (PubChem CID 118722689) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide
PubChem CID118722689
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3ccncc3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C22H18ClN3O3S/c1-13-9-14(2)11-17(10-13)30(28,29)21-18-12-15(23)3-4-19(18)26-20(21)22(27)25-16-5-7-24-8-6-16/h3-12,26H,1-2H3,(H,24,25,27)
InChIKeyUCIBYDRYTVJJRQ-UHFFFAOYSA-N
XLogP4.92
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.92
H-Bond Donors ≤ 52
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-N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454852
3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxamide
CID 454853
N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66609622
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
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-isopropyl-1H-indole-2-carbohydrazide
CID 11625926
3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 11948688
N-[(4-aminophenyl)methyl]-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 90676832
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)sulfonyl]-
CID 506867
1H-Indole-2-carboxamide, 5-chloro-3-[(2-methylphenyl)sulfonyl]-
CID 506865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide (CID 118722689) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)Nc3ccncc3)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide?
The InChIKey is UCIBYDRYTVJJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-13-9-14(2)11-17(10-13)30(28,29)21-18-12-15(23)3-4-19(18)26-20(21)22(27)25-16-5-7-24-8-6-16/h3-12,26H,1-2H3,(H,24,25,27).
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-pyridin-4-yl-1H-indole-2-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 4.92, 4 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-pyridin-4-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 118722689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).