3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide

C19H27ClN2O3S — CID 39212135

IUPAC3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
SMILESO=C(NCC1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H27ClN2O3S/c20-17-10-9-16(19(23)21-14-15-7-3-4-8-15)13-18(17)26(24,25)22-11-5-1-2-6-12-22/h9-10,13,15H,1-8,11-12,14H2,(H,21,23)
InChIKeyHZYJKDTYGLYZHQ-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.82
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide

3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide (PubChem CID 39212135) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
PubChem CID39212135
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
SMILESO=C(NCC1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H27ClN2O3S/c20-17-10-9-16(19(23)21-14-15-7-3-4-8-15)13-18(17)26(24,25)22-11-5-1-2-6-12-22/h9-10,13,15H,1-8,11-12,14H2,(H,21,23)
InChIKeyHZYJKDTYGLYZHQ-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55612530
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
4-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8839720
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
4-chloro-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
CID 2524943
cyclohexyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 8764324
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide (CID 39212135) is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide is O=C(NCC1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide?
The InChIKey is HZYJKDTYGLYZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c20-17-10-9-16(19(23)21-14-15-7-3-4-8-15)13-18(17)26(24,25)22-11-5-1-2-6-12-22/h9-10,13,15H,1-8,11-12,14H2,(H,21,23).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide?
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide has a molecular weight of 398.96 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide is sourced from PubChem (CID 39212135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).