3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide

C15H21ClN2O3S — CID 110628411

IUPAC3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-2-9-17-22(20,21)18-10-3-4-13(11-18)15(19)12-5-7-14(16)8-6-12/h5-8,13,17H,2-4,9-11H2,1H3
InChIKeyCZJBQRCOQHRXTH-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.48
Rot. Bonds6

About 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide

3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide (PubChem CID 110628411) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide
PubChem CID110628411
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-2-9-17-22(20,21)18-10-3-4-13(11-18)15(19)12-5-7-14(16)8-6-12/h5-8,13,17H,2-4,9-11H2,1H3
InChIKeyCZJBQRCOQHRXTH-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 110394846
2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609493
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
N-[4-[2-[3-(4-chlorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998840
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 42209681
ethyl N-[2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558612

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide (CID 110628411) is 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide?
The InChIKey is CZJBQRCOQHRXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-9-17-22(20,21)18-10-3-4-13(11-18)15(19)12-5-7-14(16)8-6-12/h5-8,13,17H,2-4,9-11H2,1H3.
What are the key properties of 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide?
3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 110628411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).