4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C12H18BrClN2O2S — CID 119960505

IUPAC4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCNCC2)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-8-11(2-3-12(9)13)18(16,17)15-10-4-6-14-7-5-10;/h2-3,8,10,14-15H,4-7H2,1H3;1H
InChIKeyZTKRFLUZHYVZFC-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.21
Rot. Bonds3

About 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119960505) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119960505
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCNCC2)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-8-11(2-3-12(9)13)18(16,17)15-10-4-6-14-7-5-10;/h2-3,8,10,14-15H,4-7H2,1H3;1H
InChIKeyZTKRFLUZHYVZFC-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120874426
4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide
CID 134362277
3-bromo-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960387
3-bromo-4-methyl-5-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960670
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
3-bromo-2-methyl-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79576098
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
3-acetyl-4-bromo-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 75449847
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
4-bromo-N-(1,1-dioxothian-3-yl)-3-methylbenzenesulfonamide
CID 63924383
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119960505) is 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1Br.Cl.
What is the InChIKey of 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is ZTKRFLUZHYVZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c1-9-8-11(2-3-12(9)13)18(16,17)15-10-4-6-14-7-5-10;/h2-3,8,10,14-15H,4-7H2,1H3;1H.
What are the key properties of 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).