N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide

C16H19NO4S — CID 6467501

IUPACN-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C16H19NO4S/c1-11-5-6-12(2)16(7-11)22(18,19)17-13-8-14(20-3)10-15(9-13)21-4/h5-10,17H,1-4H3
InChIKeyVADAZKVSGWNOLO-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.12
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide

N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 6467501) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID6467501
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C16H19NO4S/c1-11-5-6-12(2)16(7-11)22(18,19)17-13-8-14(20-3)10-15(9-13)21-4/h5-10,17H,1-4H3
InChIKeyVADAZKVSGWNOLO-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

3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 8822569
N-(3,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913967
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773045
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516474
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 6467501) is N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(C)ccc2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is VADAZKVSGWNOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11-5-6-12(2)16(7-11)22(18,19)17-13-8-14(20-3)10-15(9-13)21-4/h5-10,17H,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide 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-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 6467501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).