2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C12H16Br2N2O2S — CID 114695307

IUPAC2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H16Br2N2O2S/c1-8-11(3-2-6-15-8)16-19(17,18)12-7-9(13)4-5-10(12)14/h4-5,7-8,11,15-16H,2-3,6H2,1H3
InChIKeyJFJPSMNVYHLRCV-UHFFFAOYSA-N
MW412.15 g/mol
LogP2.63
Rot. Bonds3

About 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide

2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 114695307) has the molecular formula C12H16Br2N2O2S and a molecular weight of 412.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID114695307
Molecular FormulaC12H16Br2N2O2S
Molecular Weight412.15 g/mol
Exact Mass409.93
IUPAC Name2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H16Br2N2O2S/c1-8-11(3-2-6-15-8)16-19(17,18)12-7-9(13)4-5-10(12)14/h4-5,7-8,11,15-16H,2-3,6H2,1H3
InChIKeyJFJPSMNVYHLRCV-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide 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

5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
5-bromo-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726126
6-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120726236
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
5-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120726639
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 114695307) is 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide is CC1NCCCC1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is JFJPSMNVYHLRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2S/c1-8-11(3-2-6-15-8)16-19(17,18)12-7-9(13)4-5-10(12)14/h4-5,7-8,11,15-16H,2-3,6H2,1H3.
What are the key properties of 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 412.15 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114695307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).