5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide

C14H13BrClNO2S — CID 60660575

IUPAC5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO2S/c1-10-5-6-12(15)8-14(10)20(18,19)17-9-11-3-2-4-13(16)7-11/h2-8,17H,9H2,1H3
InChIKeyYEBLVAFKFCXOQW-UHFFFAOYSA-N
MW374.69 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide

5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 60660575) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID60660575
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC Name5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO2S/c1-10-5-6-12(15)8-14(10)20(18,19)17-9-11-3-2-4-13(16)7-11/h2-8,17H,9H2,1H3
InChIKeyYEBLVAFKFCXOQW-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide (CID 60660575) is 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is YEBLVAFKFCXOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-10-5-6-12(15)8-14(10)20(18,19)17-9-11-3-2-4-13(16)7-11/h2-8,17H,9H2,1H3.
What are the key properties of 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide?
5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 60660575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).