N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

C17H21NO3S — CID 99490430

IUPACN-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c(C)c1C
InChIInChI=1S/C17H21NO3S/c1-11-7-6-8-12(2)17(11)18-22(19,20)16-10-9-15(21-5)13(3)14(16)4/h6-10,18H,1-5H3
InChIKeyVJWZEJNQEKNZQZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.73
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 99490430) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID99490430
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c(C)c1C
InChIInChI=1S/C17H21NO3S/c1-11-7-6-8-12(2)17(11)18-22(19,20)16-10-9-15(21-5)13(3)14(16)4/h6-10,18H,1-5H3
InChIKeyVJWZEJNQEKNZQZ-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490419
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100587778
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 99490430) is N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c(C)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is VJWZEJNQEKNZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-11-7-6-8-12(2)17(11)18-22(19,20)16-10-9-15(21-5)13(3)14(16)4/h6-10,18H,1-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 99490430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).