N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide

C15H16BrNO2S — CID 102147308

IUPACN-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccc(Br)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16BrNO2S/c1-12(13-8-10-14(16)11-9-13)17(2)20(18,19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyMXFFWDRHXBUPHE-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide

N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 102147308) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID102147308
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccc(Br)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16BrNO2S/c1-12(13-8-10-14(16)11-9-13)17(2)20(18,19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyMXFFWDRHXBUPHE-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61068098
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide
CID 138999298
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide
CID 167991901
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-bromo-N-methylbenzenesulfonamide
CID 8801960

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide (CID 102147308) is N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide is CC(c1ccc(Br)cc1)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is MXFFWDRHXBUPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-12(13-8-10-14(16)11-9-13)17(2)20(18,19)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 102147308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).