3-(5-bromo-2-chlorophenyl)benzenesulfonamide

C12H9BrClNO2S — CID 142783754

IUPAC3-(5-bromo-2-chlorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C12H9BrClNO2S/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(6-8)18(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyPJOGBGYJUROTPJ-UHFFFAOYSA-N
MW346.63 g/mol
LogP3.42
Rot. Bonds2

About 3-(5-bromo-2-chlorophenyl)benzenesulfonamide

3-(5-bromo-2-chlorophenyl)benzenesulfonamide (PubChem CID 142783754) has the molecular formula C12H9BrClNO2S and a molecular weight of 346.63 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)benzenesulfonamide
PubChem CID142783754
Molecular FormulaC12H9BrClNO2S
Molecular Weight346.63 g/mol
Exact Mass344.92
IUPAC Name3-(5-bromo-2-chlorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C12H9BrClNO2S/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(6-8)18(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyPJOGBGYJUROTPJ-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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Related Compounds

5-Bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide
CID 174947290
(1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
CID 14823477
N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
CID 57217002
8-Bromo-5-chloronaphthalene-2-sulfonamide
CID 71062173
5-[(4-Bromophenyl)-cyclopropylmethyl]-2-chlorobenzenesulfonamide
CID 164142657
4-Bromo-2-(2-chlorophenyl)benzenesulfonyl chloride
CID 172295159
2-(3-Bromophenyl)-1-chloro-4-ethylsulfonylbenzene
CID 173098840
3-(2-Chlorophenyl)benzenesulfonamide
CID 173127063
3-(3-Bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide
CID 175850282
5-Bromo-2-chloro-3-methylbenzenesulfonamide
CID 131537671

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)benzenesulfonamide?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)benzenesulfonamide (CID 142783754) is 3-(5-bromo-2-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)benzenesulfonamide?
The InChIKey is PJOGBGYJUROTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2S/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(6-8)18(15,16)17/h1-7H,(H2,15,16,17).
What are the key properties of 3-(5-bromo-2-chlorophenyl)benzenesulfonamide?
3-(5-bromo-2-chlorophenyl)benzenesulfonamide 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-(5-bromo-2-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 142783754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).