N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide

C14H14BrNO2S — CID 4994624

IUPACN-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO2S/c1-11-3-2-4-14(9-11)19(17,18)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3
InChIKeyUFQTYGDTOVPPQJ-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.24
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide

N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 4994624) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID4994624
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO2S/c1-11-3-2-4-14(9-11)19(17,18)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3
InChIKeyUFQTYGDTOVPPQJ-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-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide (CID 4994624) is N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc(Br)cc2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is UFQTYGDTOVPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11-3-2-4-14(9-11)19(17,18)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide?
N-[(4-bromophenyl)methyl]-3-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]-3-methylbenzenesulfonamide is sourced from PubChem (CID 4994624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).