5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide

C18H25ClN2O3S — CID 46387464

IUPAC5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c19-17-10-9-15(25(23,24)21-11-5-1-2-6-12-21)13-16(17)18(22)20-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,20,22)
InChIKeyMGYQBBSLDOSLAF-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.58
Rot. Bonds4

About 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide

5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide (PubChem CID 46387464) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
PubChem CID46387464
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c19-17-10-9-15(25(23,24)21-11-5-1-2-6-12-21)13-16(17)18(22)20-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,20,22)
InChIKeyMGYQBBSLDOSLAF-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 55321654
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide (CID 46387464) is 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide is O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide?
The InChIKey is MGYQBBSLDOSLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c19-17-10-9-15(25(23,24)21-11-5-1-2-6-12-21)13-16(17)18(22)20-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,20,22).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide?
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide has a molecular weight of 384.93 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide is sourced from PubChem (CID 46387464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).