N-(benzenesulfonyl)-3-bromobenzamide

C13H10BrNO3S — CID 2197783

IUPACN-(benzenesulfonyl)-3-bromobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO3S/c14-11-6-4-5-10(9-11)13(16)15-19(17,18)12-7-2-1-3-8-12/h1-9H,(H,15,16)
InChIKeyQRVPWJQDZKZRHR-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.57
Rot. Bonds3

About N-(benzenesulfonyl)-3-bromobenzamide

N-(benzenesulfonyl)-3-bromobenzamide (PubChem CID 2197783) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-bromobenzamide
PubChem CID2197783
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC NameN-(benzenesulfonyl)-3-bromobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO3S/c14-11-6-4-5-10(9-11)13(16)15-19(17,18)12-7-2-1-3-8-12/h1-9H,(H,15,16)
InChIKeyQRVPWJQDZKZRHR-UHFFFAOYSA-N
XLogP2.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-bromobenzamide?
The IUPAC name of N-(benzenesulfonyl)-3-bromobenzamide (CID 2197783) is N-(benzenesulfonyl)-3-bromobenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-bromobenzamide?
The canonical SMILES for N-(benzenesulfonyl)-3-bromobenzamide is O=C(NS(=O)(=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-(benzenesulfonyl)-3-bromobenzamide?
The InChIKey is QRVPWJQDZKZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c14-11-6-4-5-10(9-11)13(16)15-19(17,18)12-7-2-1-3-8-12/h1-9H,(H,15,16).
What are the key properties of N-(benzenesulfonyl)-3-bromobenzamide?
N-(benzenesulfonyl)-3-bromobenzamide has a molecular weight of 340.20 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-bromobenzamide is sourced from PubChem (CID 2197783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).