3-bromo-2-chloro-6-phenylbenzenesulfonamide

C12H9BrClNO2S — CID 153410000

IUPAC3-bromo-2-chloro-6-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccccc2)ccc(Br)c1Cl
InChIInChI=1S/C12H9BrClNO2S/c13-10-7-6-9(8-4-2-1-3-5-8)12(11(10)14)18(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyAXCHFQGYOCNVPS-UHFFFAOYSA-N
MW346.63 g/mol
LogP3.42
Rot. Bonds2

About 3-bromo-2-chloro-6-phenylbenzenesulfonamide

3-bromo-2-chloro-6-phenylbenzenesulfonamide (PubChem CID 153410000) has the molecular formula C12H9BrClNO2S and a molecular weight of 346.63 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-phenylbenzenesulfonamide
PubChem CID153410000
Molecular FormulaC12H9BrClNO2S
Molecular Weight346.63 g/mol
Exact Mass344.92
IUPAC Name3-bromo-2-chloro-6-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccccc2)ccc(Br)c1Cl
InChIInChI=1S/C12H9BrClNO2S/c13-10-7-6-9(8-4-2-1-3-5-8)12(11(10)14)18(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyAXCHFQGYOCNVPS-UHFFFAOYSA-N
XLogP3.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.63
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-phenylbenzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-phenylbenzenesulfonamide (CID 153410000) is 3-bromo-2-chloro-6-phenylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-phenylbenzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-phenylbenzenesulfonamide is NS(=O)(=O)c1c(-c2ccccc2)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-phenylbenzenesulfonamide?
The InChIKey is AXCHFQGYOCNVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2S/c13-10-7-6-9(8-4-2-1-3-5-8)12(11(10)14)18(15,16)17/h1-7H,(H2,15,16,17).
What are the key properties of 3-bromo-2-chloro-6-phenylbenzenesulfonamide?
3-bromo-2-chloro-6-phenylbenzenesulfonamide has a molecular weight of 346.63 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-phenylbenzenesulfonamide is sourced from PubChem (CID 153410000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).