5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

C13H20BrClN2O2S — CID 120726195

IUPAC5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C13H19BrN2O2S.ClH/c1-9-5-6-11(14)8-13(9)19(17,18)16-12-4-3-7-15-10(12)2;/h5-6,8,10,12,15-16H,3-4,7H2,1-2H3;1H
InChIKeyKRYOMTRLFHKQAO-UHFFFAOYSA-N
MW383.74 g/mol
LogP2.60
Rot. Bonds3

About 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120726195) has the molecular formula C13H20BrClN2O2S and a molecular weight of 383.74 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120726195
Molecular FormulaC13H20BrClN2O2S
Molecular Weight383.74 g/mol
Exact Mass382.01
IUPAC Name5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C13H19BrN2O2S.ClH/c1-9-5-6-11(14)8-13(9)19(17,18)16-12-4-3-7-15-10(12)2;/h5-6,8,10,12,15-16H,3-4,7H2,1-2H3;1H
InChIKeyKRYOMTRLFHKQAO-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
5-bromo-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726126
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
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
5-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120726639
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574596
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120726195) is 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is Cc1ccc(Br)cc1S(=O)(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is KRYOMTRLFHKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S.ClH/c1-9-5-6-11(14)8-13(9)19(17,18)16-12-4-3-7-15-10(12)2;/h5-6,8,10,12,15-16H,3-4,7H2,1-2H3;1H.
What are the key properties of 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 383.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120726195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).