N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide

C14H14BrNO2S — CID 46203552

IUPACN-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-4-2-3-5-14(11)19(17,18)16-10-12-6-8-13(15)9-7-12/h2-9,16H,10H2,1H3
InChIKeyWLYGUJIEHZSDBQ-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.24
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide

N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 46203552) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID46203552
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-4-2-3-5-14(11)19(17,18)16-10-12-6-8-13(15)9-7-12/h2-9,16H,10H2,1H3
InChIKeyWLYGUJIEHZSDBQ-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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
CID 62150324
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 79471456
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
CID 50876820
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
2-methoxy-N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155516846
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide (CID 46203552) is N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is WLYGUJIEHZSDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11-4-2-3-5-14(11)19(17,18)16-10-12-6-8-13(15)9-7-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide?
N-[(4-bromophenyl)methyl]-2-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]-2-methylbenzenesulfonamide is sourced from PubChem (CID 46203552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).