3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide

C12H8BrCl2NO2S — CID 3833840

IUPAC3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrCl2NO2S/c13-8-2-1-3-12(4-8)19(17,18)16-11-6-9(14)5-10(15)7-11/h1-7,16H
InChIKeyHVFRVLJOSLSEAL-UHFFFAOYSA-N
MW381.08 g/mol
LogP4.56
Rot. Bonds3

About 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide

3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide (PubChem CID 3833840) has the molecular formula C12H8BrCl2NO2S and a molecular weight of 381.08 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
PubChem CID3833840
Molecular FormulaC12H8BrCl2NO2S
Molecular Weight381.08 g/mol
Exact Mass378.88
IUPAC Name3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrCl2NO2S/c13-8-2-1-3-12(4-8)19(17,18)16-11-6-9(14)5-10(15)7-11/h1-7,16H
InChIKeyHVFRVLJOSLSEAL-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.08
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 26966432
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
3-bromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 16615708

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide (CID 3833840) is 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide?
The InChIKey is HVFRVLJOSLSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO2S/c13-8-2-1-3-12(4-8)19(17,18)16-11-6-9(14)5-10(15)7-11/h1-7,16H.
What are the key properties of 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide?
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide has a molecular weight of 381.08 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 3833840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).