N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide

C16H19NO4S — CID 4828069

IUPACN-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-11-7-12(2)9-13(8-11)17-22(18,19)14-5-6-15(20-3)16(10-14)21-4/h5-10,17H,1-4H3
InChIKeyNVEQOZFNEIYNJR-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.12
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide

N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 4828069) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID4828069
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-11-7-12(2)9-13(8-11)17-22(18,19)14-5-6-15(20-3)16(10-14)21-4/h5-10,17H,1-4H3
InChIKeyNVEQOZFNEIYNJR-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide (CID 4828069) is N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is NVEQOZFNEIYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11-7-12(2)9-13(8-11)17-22(18,19)14-5-6-15(20-3)16(10-14)21-4/h5-10,17H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide?
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 4828069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).