3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide

C14H13BrClNO2S — CID 134247443

IUPAC3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c1-9-6-12(16)7-10(2)14(9)17-20(18,19)13-5-3-4-11(15)8-13/h3-8,17H,1-2H3
InChIKeyOYVXCUSFPSURIN-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.52
Rot. Bonds3

About 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide

3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide (PubChem CID 134247443) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
PubChem CID134247443
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC Name3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c1-9-6-12(16)7-10(2)14(9)17-20(18,19)13-5-3-4-11(15)8-13/h3-8,17H,1-2H3
InChIKeyOYVXCUSFPSURIN-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide (CID 134247443) is 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide is Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The InChIKey is OYVXCUSFPSURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-9-6-12(16)7-10(2)14(9)17-20(18,19)13-5-3-4-11(15)8-13/h3-8,17H,1-2H3.
What are the key properties of 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 134247443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).