3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide

C15H15BrClNO2S — CID 61059692

IUPAC3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11(14-8-3-4-9-15(14)17)18(2)21(19,20)13-7-5-6-12(16)10-13/h3-11H,1-2H3
InChIKeyFHKKKBMHKWJBCS-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.48
Rot. Bonds4

About 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide

3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 61059692) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID61059692
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11(14-8-3-4-9-15(14)17)18(2)21(19,20)13-7-5-6-12(16)10-13/h3-11H,1-2H3
InChIKeyFHKKKBMHKWJBCS-UHFFFAOYSA-N
XLogP4.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 62980507
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541492
2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928514
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467728
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
CID 106268141
4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61068098
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 61045211

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide (CID 61059692) is 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide is CC(c1ccccc1Cl)N(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is FHKKKBMHKWJBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11(14-8-3-4-9-15(14)17)18(2)21(19,20)13-7-5-6-12(16)10-13/h3-11H,1-2H3.
What are the key properties of 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61059692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).