4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide

C13H10BrCl2NO2S — CID 47104330

IUPAC4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-10(15)6-9(14)7-11(13)16/h2-7,17H,1H3
InChIKeyYFPSBRDYECZXOQ-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.87
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 47104330) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
PubChem CID47104330
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC Name4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-10(15)6-9(14)7-11(13)16/h2-7,17H,1H3
InChIKeyYFPSBRDYECZXOQ-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
CID 60640782
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide (CID 47104330) is 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is YFPSBRDYECZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-10(15)6-9(14)7-11(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 47104330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).