1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide

C14H17ClN2O4S — CID 31307506

IUPAC1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O4S/c1-22(20,21)12-8-10(2-3-11(12)15)14(19)17-6-4-9(5-7-17)13(16)18/h2-3,8-9H,4-7H2,1H3,(H2,16,18)
InChIKeyMWDUINRIQMBUOD-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.08
Rot. Bonds3

About 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide

1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide (PubChem CID 31307506) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
PubChem CID31307506
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O4S/c1-22(20,21)12-8-10(2-3-11(12)15)14(19)17-6-4-9(5-7-17)13(16)18/h2-3,8-9H,4-7H2,1H3,(H2,16,18)
InChIKeyMWDUINRIQMBUOD-UHFFFAOYSA-N
XLogP1.08
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
(4-chloro-3-methylsulfonylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029528
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 5236440
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
(4-chloro-3-methylsulfonylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777646
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
2-[1-(4-chloro-3-methylsulfonylbenzoyl)azetidin-3-yl]acetic acid
CID 64603749
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340217
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734210

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide (CID 31307506) is 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide is CS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide?
The InChIKey is MWDUINRIQMBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-22(20,21)12-8-10(2-3-11(12)15)14(19)17-6-4-9(5-7-17)13(16)18/h2-3,8-9H,4-7H2,1H3,(H2,16,18).
What are the key properties of 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide?
1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 31307506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).