3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide

C21H23ClN4O2S — CID 71797595

IUPAC3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C21H23ClN4O2S/c1-15-19(22)7-4-8-21(15)29(27,28)24-14-17-13-20(16-9-11-23-12-10-16)26(25-17)18-5-2-3-6-18/h4,7-13,18,24H,2-3,5-6,14H2,1H3
InChIKeyYXDYAHLWEGDYPT-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.50
Rot. Bonds6

About 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide

3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 71797595) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID71797595
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C21H23ClN4O2S/c1-15-19(22)7-4-8-21(15)29(27,28)24-14-17-13-20(16-9-11-23-12-10-16)26(25-17)18-5-2-3-6-18/h4,7-13,18,24H,2-3,5-6,14H2,1H3
InChIKeyYXDYAHLWEGDYPT-UHFFFAOYSA-N
XLogP4.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 1510476
N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 6466638
1-[1-(benzenesulfonyl)-5-(2-chloro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 25007652
N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87563413
1-(2-chloro-4-fluorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465363
N-[(2-Chlorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914765
1-(4-Aminosulfonylphenyl)-5-(2-chloropyridin-4-yl)-3-trifluoromethyl-1H-pyrazole
CID 25258348
5-chloro-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 57402428
1-[5-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;trihydrochloride
CID 90665103
3-chloro-2-methyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
CID 118512841
1-(2-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6468378
1-(3-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6466144

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide (CID 71797595) is 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is YXDYAHLWEGDYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-15-19(22)7-4-8-21(15)29(27,28)24-14-17-13-20(16-9-11-23-12-10-16)26(25-17)18-5-2-3-6-18/h4,7-13,18,24H,2-3,5-6,14H2,1H3.
What are the key properties of 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide?
3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 430.96 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 71797595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).