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

C14H14BrNO2S — CID 53342357

IUPACN-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-6-8-13(9-7-11)19(17,18)16-10-12-4-2-3-5-14(12)15/h2-9,16H,10H2,1H3
InChIKeyHIXUZRMREWNHIU-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.24
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 53342357) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID53342357
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-6-8-13(9-7-11)19(17,18)16-10-12-4-2-3-5-14(12)15/h2-9,16H,10H2,1H3
InChIKeyHIXUZRMREWNHIU-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide (CID 53342357) is N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is HIXUZRMREWNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11-6-8-13(9-7-11)19(17,18)16-10-12-4-2-3-5-14(12)15/h2-9,16H,10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide?
N-[(2-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-[(2-bromophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 53342357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).