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

C14H21BrN2O2S — CID 63629233

IUPAC5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C14H21BrN2O2S/c1-11-4-5-13(15)9-14(11)20(18,19)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3
InChIKeyRCTLIKKPGJUXNN-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.43
Rot. Bonds5

About 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 63629233) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID63629233
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C14H21BrN2O2S/c1-11-4-5-13(15)9-14(11)20(18,19)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3
InChIKeyRCTLIKKPGJUXNN-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

2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 63629233) is 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCCC1CCCNC1.
What is the InChIKey of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is RCTLIKKPGJUXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-11-4-5-13(15)9-14(11)20(18,19)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
5-bromo-2-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 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63629233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).