N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide

C14H14BrNO2S — CID 3370668

IUPACN-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyKIWRUEZKAGMHCG-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.24
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide

N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 3370668) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID3370668
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyKIWRUEZKAGMHCG-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
4-bromo-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
CID 3348054
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 29350986

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide (CID 3370668) is N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is KIWRUEZKAGMHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide?
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3370668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).