N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide

C16H20N2O3S — CID 169371060

IUPACN-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H20N2O3S/c1-12-5-8-14(9-6-12)22(19,20)17-15-10-7-13(18(2)3)11-16(15)21-4/h5-11,17H,1-4H3
InChIKeyXYKHJJXFNGLAEO-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.87
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide

N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 169371060) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
PubChem CID169371060
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H20N2O3S/c1-12-5-8-14(9-6-12)22(19,20)17-15-10-7-13(18(2)3)11-16(15)21-4/h5-11,17H,1-4H3
InChIKeyXYKHJJXFNGLAEO-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide (CID 169371060) is N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide is COc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is XYKHJJXFNGLAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-5-8-14(9-6-12)22(19,20)17-15-10-7-13(18(2)3)11-16(15)21-4/h5-11,17H,1-4H3.
What are the key properties of N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide?
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).