1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide

C14H17ClN2O3S — CID 43011395

IUPAC1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c15-10-3-7-12(8-4-10)21(19,20)17-9-1-2-13(17)14(18)16-11-5-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,16,18)
InChIKeyJRFYYOFYEIAQSN-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.77
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 43011395) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID43011395
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c15-10-3-7-12(8-4-10)21(19,20)17-9-1-2-13(17)14(18)16-11-5-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,16,18)
InChIKeyJRFYYOFYEIAQSN-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 43062096
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 7534262
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448
(2R)-N-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxamide
CID 35611276
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2357927
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
(2S)-N-(1-adamantyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 7405439

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide (CID 43011395) is 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is JRFYYOFYEIAQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-10-3-7-12(8-4-10)21(19,20)17-9-1-2-13(17)14(18)16-11-5-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,16,18).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 328.82 g/mol, XLogP of 1.77, 4 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-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43011395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).