N-benzyl-4-bromobenzenesulfonamide

C13H12BrNO2S — CID 571651

IUPACN-benzyl-4-bromobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyKBFYMIDQZWIKJR-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.93
Rot. Bonds4

About N-benzyl-4-bromobenzenesulfonamide

N-benzyl-4-bromobenzenesulfonamide (PubChem CID 571651) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-benzyl-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-bromobenzenesulfonamide
PubChem CID571651
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-benzyl-4-bromobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyKBFYMIDQZWIKJR-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromobenzenesulfonamide?
The IUPAC name of N-benzyl-4-bromobenzenesulfonamide (CID 571651) is N-benzyl-4-bromobenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-bromobenzenesulfonamide?
The canonical SMILES for N-benzyl-4-bromobenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-4-bromobenzenesulfonamide?
The InChIKey is KBFYMIDQZWIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of N-benzyl-4-bromobenzenesulfonamide?
N-benzyl-4-bromobenzenesulfonamide has a molecular weight of 326.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromobenzenesulfonamide is sourced from PubChem (CID 571651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).