(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide

C12H16BrN3O3S — CID 81125256

IUPAC(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCNC2)c(Br)c1
InChIInChI=1S/C12H16BrN3O3S/c13-10-6-9(20(14,18)19)3-4-11(10)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)(H2,14,18,19)/t8-/m1/s1
InChIKeyGYDKMPZBGSJESG-MRVPVSSYSA-N
MW362.25 g/mol
LogP1.03
Rot. Bonds3

About (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide

(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide (PubChem CID 81125256) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
PubChem CID81125256
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCNC2)c(Br)c1
InChIInChI=1S/C12H16BrN3O3S/c13-10-6-9(20(14,18)19)3-4-11(10)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)(H2,14,18,19)/t8-/m1/s1
InChIKeyGYDKMPZBGSJESG-MRVPVSSYSA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125110
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
3-bromo-4-(piperidin-3-ylmethylamino)benzenesulfonamide
CID 80554293
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
CID 119266543
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
CID 81124120
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide (CID 81125256) is (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCNC2)c(Br)c1.
What is the InChIKey of (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide?
The InChIKey is GYDKMPZBGSJESG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c13-10-6-9(20(14,18)19)3-4-11(10)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)(H2,14,18,19)/t8-/m1/s1.
What are the key properties of (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide?
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81125256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).