N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H25ClN2O3S — CID 113002724

IUPACN-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C17H25ClN2O3S/c1-3-4-9-19-17(21)14-7-10-20(11-8-14)24(22,23)15-5-6-16(18)13(2)12-15/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,19,21)
InChIKeyOVOLUYIARDQAGI-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.97
Rot. Bonds6

About N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113002724) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113002724
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC NameN-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C17H25ClN2O3S/c1-3-4-9-19-17(21)14-7-10-20(11-8-14)24(22,23)15-5-6-16(18)13(2)12-15/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,19,21)
InChIKeyOVOLUYIARDQAGI-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823088
N-(3-ethoxypropyl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 86988855
N-butyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26590877
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 113002724) is N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2)CC1.
What is the InChIKey of N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OVOLUYIARDQAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-3-4-9-19-17(21)14-7-10-20(11-8-14)24(22,23)15-5-6-16(18)13(2)12-15/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,19,21).
What are the key properties of N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 372.92 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113002724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).