4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide

C15H15BrClNO2S — CID 61066587

IUPAC4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO2S/c1-18(10-9-12-5-3-2-4-6-12)21(19,20)15-8-7-13(16)11-14(15)17/h2-8,11H,9-10H2,1H3
InChIKeyYIHAORCLZBQMSF-UHFFFAOYSA-N
MW388.71 g/mol
LogP3.97
Rot. Bonds5

About 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide

4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 61066587) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID61066587
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO2S/c1-18(10-9-12-5-3-2-4-6-12)21(19,20)15-8-7-13(16)11-14(15)17/h2-8,11H,9-10H2,1H3
InChIKeyYIHAORCLZBQMSF-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 61068907
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
methyl 4-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]butanoate
CID 60715415
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105420154
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 60596902
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
CID 27664967

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 61066587) is 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide is CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is YIHAORCLZBQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-18(10-9-12-5-3-2-4-6-12)21(19,20)15-8-7-13(16)11-14(15)17/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 61066587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).