2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C14H21BrN2O2S — CID 119979225

IUPAC2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCC2CCCNC2)c1Br
InChIInChI=1S/C14H21BrN2O2S/c1-11-4-2-6-13(14(11)15)20(18,19)17-9-7-12-5-3-8-16-10-12/h2,4,6,12,16-17H,3,5,7-10H2,1H3
InChIKeyQQOGDTQZTJRGSP-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.43
Rot. Bonds5

About 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 119979225) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID119979225
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCC2CCCNC2)c1Br
InChIInChI=1S/C14H21BrN2O2S/c1-11-4-2-6-13(14(11)15)20(18,19)17-9-7-12-5-3-8-16-10-12/h2,4,6,12,16-17H,3,5,7-10H2,1H3
InChIKeyQQOGDTQZTJRGSP-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63627876
8-methyl-N-(2-piperidin-3-ylethyl)quinoline-5-sulfonamide;hydrochloride
CID 119979483
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 119979225) is 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCC2CCCNC2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is QQOGDTQZTJRGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-11-4-2-6-13(14(11)15)20(18,19)17-9-7-12-5-3-8-16-10-12/h2,4,6,12,16-17H,3,5,7-10H2,1H3.
What are the key properties of 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119979225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).