1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide

C16H23BrN2O3S — CID 24615754

IUPAC1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O3S/c1-12(2)11-18-16(20)15-5-3-4-10-19(15)23(21,22)14-8-6-13(17)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyMJBLQCWKYDUZAT-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide (PubChem CID 24615754) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
PubChem CID24615754
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O3S/c1-12(2)11-18-16(20)15-5-3-4-10-19(15)23(21,22)14-8-6-13(17)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyMJBLQCWKYDUZAT-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-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-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide
CID 24619962
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(4-bromophenyl)sulfonyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-2-carboxamide
CID 24646615
(2R)-2-methyl-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 97324577
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30260766
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide (CID 24615754) is 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide is CC(C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide?
The InChIKey is MJBLQCWKYDUZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-12(2)11-18-16(20)15-5-3-4-10-19(15)23(21,22)14-8-6-13(17)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide has a molecular weight of 403.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 24615754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).