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

C15H15BrClNO2S — CID 61068098

IUPAC4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-11(12-4-3-5-14(17)10-12)18(2)21(19,20)15-8-6-13(16)7-9-15/h3-11H,1-2H3
InChIKeyAQFJUXQKWBOSRS-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.48
Rot. Bonds4

About 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide

4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 61068098) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID61068098
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-11(12-4-3-5-14(17)10-12)18(2)21(19,20)15-8-6-13(16)7-9-15/h3-11H,1-2H3
InChIKeyAQFJUXQKWBOSRS-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

N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride
CID 154879465
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
CID 63456679
3-chloro-4-fluoro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 24525700
2-(N-(4-bromophenyl)sulfonyl-3-chloroanilino)propanoyl chloride
CID 50890108
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 93207470
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62983881
N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46591314
N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide
CID 61252386
4-fluoro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 24525683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide (CID 61068098) is 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide is CC(c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is AQFJUXQKWBOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11(12-4-3-5-14(17)10-12)18(2)21(19,20)15-8-6-13(16)7-9-15/h3-11H,1-2H3.
What are the key properties of 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide?
4-bromo-N-[1-(3-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 4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61068098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).