4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C14H22BrClN2O2S — CID 119965599

IUPAC4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C2CCNCC2)c(C)cc1Br.Cl
InChIInChI=1S/C14H21BrN2O2S.ClH/c1-10-9-14(11(2)8-13(10)15)20(18,19)17(3)12-4-6-16-7-5-12;/h8-9,12,16H,4-7H2,1-3H3;1H
InChIKeyLOHKPXPXFCGBRQ-UHFFFAOYSA-N
MW397.77 g/mol
LogP2.86
Rot. Bonds3

About 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119965599) has the molecular formula C14H22BrClN2O2S and a molecular weight of 397.77 g/mol. Its IUPAC name is 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119965599
Molecular FormulaC14H22BrClN2O2S
Molecular Weight397.77 g/mol
Exact Mass396.03
IUPAC Name4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C2CCNCC2)c(C)cc1Br.Cl
InChIInChI=1S/C14H21BrN2O2S.ClH/c1-10-9-14(11(2)8-13(10)15)20(18,19)17(3)12-4-6-16-7-5-12;/h8-9,12,16H,4-7H2,1-3H3;1H
InChIKeyLOHKPXPXFCGBRQ-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 120999726
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119965607
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
2-bromo-5-chloro-4-methoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965987
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120999700
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
4-bromo-5-fluoro-2-methoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120707436
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
9-(4-bromo-2,5-dimethylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719665

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119965599) is 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)N(C)C2CCNCC2)c(C)cc1Br.Cl.
What is the InChIKey of 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is LOHKPXPXFCGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S.ClH/c1-10-9-14(11(2)8-13(10)15)20(18,19)17(3)12-4-6-16-7-5-12;/h8-9,12,16H,4-7H2,1-3H3;1H.
What are the key properties of 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 397.77 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).