(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

C15H21ClN2O3S — CID 34230666

IUPAC(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-2-3-10-17-15(19)14-5-4-11-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJMPNQZOIQCDWQQ-AWEZNQCLSA-N
MW344.86 g/mol
LogP2.41
Rot. Bonds6

About (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 34230666) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID34230666
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-2-3-10-17-15(19)14-5-4-11-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJMPNQZOIQCDWQQ-AWEZNQCLSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(3-ethoxypropyl)pyrrolidine-2-carboxamide
CID 653737
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 42946902
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 31251791
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
N-(2-benzylsulfanylethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 132671768
N-butyl-1-[4-[(4-chlorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50831007
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 34230666) is (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JMPNQZOIQCDWQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-3-10-17-15(19)14-5-4-11-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 34230666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).