1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide

C13H17BrN2O3S — CID 60660626

IUPAC1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C13H17BrN2O3S/c1-9-5-6-10(14)8-12(9)20(18,19)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7H2,1H3,(H2,15,17)
InChIKeyMOJPWRSROVMPGQ-UHFFFAOYSA-N
MW361.26 g/mol
LogP1.79
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide

1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 60660626) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID60660626
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C13H17BrN2O3S/c1-9-5-6-10(14)8-12(9)20(18,19)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7H2,1H3,(H2,15,17)
InChIKeyMOJPWRSROVMPGQ-UHFFFAOYSA-N
XLogP1.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
1-(4-bromo-2-ethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 6735653
1-(5-bromo-2-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60660873
(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 40516561
(2S)-1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 2473314
methyl 1-(2-amino-5-bromophenyl)sulfonylpiperidine-2-carboxylate
CID 61115015
1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 3943095
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 51888037
3-[1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469187
1-(4-methyl-3-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42912980
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide (CID 60660626) is 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide is Cc1ccc(Br)cc1S(=O)(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is MOJPWRSROVMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-9-5-6-10(14)8-12(9)20(18,19)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7H2,1H3,(H2,15,17).
What are the key properties of 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide?
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 361.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 60660626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).