2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide

C14H17ClN2O3S — CID 115561055

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C14H17ClN2O3S/c15-11-5-2-6-12(21(16,19)20)13(11)14(18)17-7-9-3-1-4-10(9)8-17/h2,5-6,9-10H,1,3-4,7-8H2,(H2,16,19,20)
InChIKeyFTPNTGCYVFOSAY-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.86
Rot. Bonds2

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide (PubChem CID 115561055) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide
PubChem CID115561055
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C14H17ClN2O3S/c15-11-5-2-6-12(21(16,19)20)13(11)14(18)17-7-9-3-1-4-10(9)8-17/h2,5-6,9-10H,1,3-4,7-8H2,(H2,16,19,20)
InChIKeyFTPNTGCYVFOSAY-UHFFFAOYSA-N
XLogP1.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonyl chloride
CID 115559847
3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 63661655
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide
CID 115561059
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)benzenesulfonyl chloride
CID 115559844
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2,6-dichlorophenyl)methanone
CID 66212765
3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 63660557
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide
CID 63858500
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
[2-[(3S)-3-amino-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,6-dichlorophenyl)methanone
CID 69147102
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)benzenecarbothioamide
CID 115559904

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide (CID 115561055) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide is NS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide?
The InChIKey is FTPNTGCYVFOSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-11-5-2-6-12(21(16,19)20)13(11)14(18)17-7-9-3-1-4-10(9)8-17/h2,5-6,9-10H,1,3-4,7-8H2,(H2,16,19,20).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 115561055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).