4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C13H18BrClN2O2S — CID 62046207

IUPAC4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H18BrClN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-5-4-11(14)7-12(13)15/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3
InChIKeySMJJRSYAXKMKJU-UHFFFAOYSA-N
MW381.72 g/mol
LogP2.77
Rot. Bonds4

About 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 62046207) has the molecular formula C13H18BrClN2O2S and a molecular weight of 381.72 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID62046207
Molecular FormulaC13H18BrClN2O2S
Molecular Weight381.72 g/mol
Exact Mass380.00
IUPAC Name4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H18BrClN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-5-4-11(14)7-12(13)15/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3
InChIKeySMJJRSYAXKMKJU-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
2-chloro-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970329
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 62046207) is 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1Cl)C1CCCNC1.
What is the InChIKey of 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is SMJJRSYAXKMKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-5-4-11(14)7-12(13)15/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 381.72 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62046207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).