4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide

C14H13BrClNO4S — CID 7939100

IUPAC4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc(OC)c1
InChIInChI=1S/C14H13BrClNO4S/c1-20-11-6-10(7-12(8-11)21-2)17-22(18,19)14-4-3-9(15)5-13(14)16/h3-8,17H,1-2H3
InChIKeyCWQKZRCFOSNFOS-UHFFFAOYSA-N
MW406.69 g/mol
LogP3.92
Rot. Bonds5

About 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide

4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide (PubChem CID 7939100) has the molecular formula C14H13BrClNO4S and a molecular weight of 406.69 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
PubChem CID7939100
Molecular FormulaC14H13BrClNO4S
Molecular Weight406.69 g/mol
Exact Mass404.94
IUPAC Name4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc(OC)c1
InChIInChI=1S/C14H13BrClNO4S/c1-20-11-6-10(7-12(8-11)21-2)17-22(18,19)14-4-3-9(15)5-13(14)16/h3-8,17H,1-2H3
InChIKeyCWQKZRCFOSNFOS-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7510434
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53008995

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide (CID 7939100) is 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc(OC)c1.
What is the InChIKey of 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is CWQKZRCFOSNFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO4S/c1-20-11-6-10(7-12(8-11)21-2)17-22(18,19)14-4-3-9(15)5-13(14)16/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 406.69 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 7939100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).