N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide

C16H22ClN3O3S — CID 1477706

IUPACN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1
InChIInChI=1S/C16H22ClN3O3S/c17-13-3-5-15(6-4-13)24(22,23)20-11-7-14(8-12-20)18-16(21)19-9-1-2-10-19/h3-6,14H,1-2,7-12H2,(H,18,21)
InChIKeyZRPZLKSKHRXJDX-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide

N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 1477706) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID1477706
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC NameN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1
InChIInChI=1S/C16H22ClN3O3S/c17-13-3-5-15(6-4-13)24(22,23)20-11-7-14(8-12-20)18-16(21)19-9-1-2-10-19/h3-6,14H,1-2,7-12H2,(H,18,21)
InChIKeyZRPZLKSKHRXJDX-UHFFFAOYSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 27534567
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylacetamide
CID 46294933
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 3339972
2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide
CID 24822202
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24899022
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 9117851

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide (CID 1477706) is N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide is O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZRPZLKSKHRXJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c17-13-3-5-15(6-4-13)24(22,23)20-11-7-14(8-12-20)18-16(21)19-9-1-2-10-19/h3-6,14H,1-2,7-12H2,(H,18,21).
What are the key properties of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide?
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 1477706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).