2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline

C15H21ClN2O2S — CID 115329975

IUPAC2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2C2CCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O2S/c16-13-10-12(7-8-14(13)17)21(19,20)18-9-3-6-15(18)11-4-1-2-5-11/h7-8,10-11,15H,1-6,9,17H2
InChIKeyFRZAUNDEKAAVSW-UHFFFAOYSA-N
MW328.87 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline

2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 115329975) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
PubChem CID115329975
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2C2CCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O2S/c16-13-10-12(7-8-14(13)17)21(19,20)18-9-3-6-15(18)11-4-1-2-5-11/h7-8,10-11,15H,1-6,9,17H2
InChIKeyFRZAUNDEKAAVSW-UHFFFAOYSA-N
XLogP3.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-chloroaniline
CID 115329759
1-(3-bromo-4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 106610949
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2-methylaniline
CID 65319145
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-5-chloroaniline
CID 43627944
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-5-chloroaniline
CID 102725258
1-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 107091103
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline (CID 115329975) is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCCC2C2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is FRZAUNDEKAAVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-13-10-12(7-8-14(13)17)21(19,20)18-9-3-6-15(18)11-4-1-2-5-11/h7-8,10-11,15H,1-6,9,17H2.
What are the key properties of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 328.87 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 115329975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).