(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide

C15H19ClN2O3S — CID 92887706

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c16-11-4-8-13(9-5-11)22(20,21)18-10-2-1-3-14(18)15(19)17-12-6-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H,17,19)/t14-/m0/s1
InChIKeyBEIQXKCKVOQKKM-AWEZNQCLSA-N
MW342.85 g/mol
LogP2.16
Rot. Bonds4

About (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide

(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide (PubChem CID 92887706) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
PubChem CID92887706
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c16-11-4-8-13(9-5-11)22(20,21)18-10-2-1-3-14(18)15(19)17-12-6-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H,17,19)/t14-/m0/s1
InChIKeyBEIQXKCKVOQKKM-AWEZNQCLSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 43062096
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 7534262
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 50762391
(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
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide (CID 92887706) is (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide is O=C(NC1CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide?
The InChIKey is BEIQXKCKVOQKKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c16-11-4-8-13(9-5-11)22(20,21)18-10-2-1-3-14(18)15(19)17-12-6-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide has a molecular weight of 342.85 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide is sourced from PubChem (CID 92887706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).