1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide

C16H23ClN2O3S — CID 3219681

IUPAC1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-12(2)9-10-18-16(20)15-4-3-11-19(15)23(21,22)14-7-5-13(17)6-8-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyQMNWFCHVFSXZSE-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide (PubChem CID 3219681) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
PubChem CID3219681
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-12(2)9-10-18-16(20)15-4-3-11-19(15)23(21,22)14-7-5-13(17)6-8-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyQMNWFCHVFSXZSE-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951
1-(4-chlorophenyl)sulfonyl-N-(3-ethoxypropyl)pyrrolidine-2-carboxamide
CID 653737
N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
CID 41196002
[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium
CID 8794954
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
(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-benzylsulfanylethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 132671768
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide (CID 3219681) is 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is QMNWFCHVFSXZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-12(2)9-10-18-16(20)15-4-3-11-19(15)23(21,22)14-7-5-13(17)6-8-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3219681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).