4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C12H17BrCl2N2O2S — CID 120586097

IUPAC4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CC(NS(=O)(=O)c2ccc(Br)c(Cl)c2)CCN1.Cl
InChIInChI=1S/C12H16BrClN2O2S.ClH/c1-8-6-9(4-5-15-8)16-19(17,18)10-2-3-11(13)12(14)7-10;/h2-3,7-9,15-16H,4-6H2,1H3;1H
InChIKeyBLCHEJSXIAKLNU-UHFFFAOYSA-N
MW404.16 g/mol
LogP2.94
Rot. Bonds3

About 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120586097) has the molecular formula C12H17BrCl2N2O2S and a molecular weight of 404.16 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120586097
Molecular FormulaC12H17BrCl2N2O2S
Molecular Weight404.16 g/mol
Exact Mass401.96
IUPAC Name4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CC(NS(=O)(=O)c2ccc(Br)c(Cl)c2)CCN1.Cl
InChIInChI=1S/C12H16BrClN2O2S.ClH/c1-8-6-9(4-5-15-8)16-19(17,18)10-2-3-11(13)12(14)7-10;/h2-3,7-9,15-16H,4-6H2,1H3;1H
InChIKeyBLCHEJSXIAKLNU-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.16
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride 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

3-bromo-N-(2-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 120586161
4-chloro-N-(2-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide
CID 106995700
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680
N-(2-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106995719
3-bromo-4-methyl-N-(2-methylpiperidin-4-yl)-5-nitrobenzenesulfonamide
CID 120585700
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233
2-bromo-5-chloro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120585984
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120586097) is 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CC1CC(NS(=O)(=O)c2ccc(Br)c(Cl)c2)CCN1.Cl.
What is the InChIKey of 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is BLCHEJSXIAKLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S.ClH/c1-8-6-9(4-5-15-8)16-19(17,18)10-2-3-11(13)12(14)7-10;/h2-3,7-9,15-16H,4-6H2,1H3;1H.
What are the key properties of 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 404.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120586097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).