N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide

C15H16BrNO4S — CID 22773975

IUPACN-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)c(OC)c1
InChIInChI=1S/C15H16BrNO4S/c1-10-4-6-13(12(16)8-10)17-22(18,19)15-7-5-11(20-2)9-14(15)21-3/h4-9,17H,1-3H3
InChIKeyGAFUQGIKMAHKOS-UHFFFAOYSA-N
MW386.27 g/mol
LogP3.58
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide

N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 22773975) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID22773975
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC NameN-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)c(OC)c1
InChIInChI=1S/C15H16BrNO4S/c1-10-4-6-13(12(16)8-10)17-22(18,19)15-7-5-11(20-2)9-14(15)21-3/h4-9,17H,1-3H3
InChIKeyGAFUQGIKMAHKOS-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide (CID 22773975) is N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)c(OC)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is GAFUQGIKMAHKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-10-4-6-13(12(16)8-10)17-22(18,19)15-7-5-11(20-2)9-14(15)21-3/h4-9,17H,1-3H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22773975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).