N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide

C17H20N2O3S — CID 110824385

IUPACN,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide
SMILESCc1ccccc1NCC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-7-4-5-10-16(13)18-12-17(20)14-8-6-9-15(11-14)23(21,22)19(2)3/h4-11,18H,12H2,1-3H3
InChIKeyZMMJCGQBHYOEER-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.54
Rot. Bonds6

About N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide

N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide (PubChem CID 110824385) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide
PubChem CID110824385
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide
SMILESCc1ccccc1NCC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-7-4-5-10-16(13)18-12-17(20)14-8-6-9-15(11-14)23(21,22)19(2)3/h4-11,18H,12H2,1-3H3
InChIKeyZMMJCGQBHYOEER-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[2-(2-methyl-5-nitroanilino)acetyl]benzenesulfonamide
CID 110824430
N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide
CID 110824384
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide
CID 110824420
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
CID 82482003
3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828864
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
(2,6-dimethylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 3946899
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55603942

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide (CID 110824385) is N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide is Cc1ccccc1NCC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide?
The InChIKey is ZMMJCGQBHYOEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-7-4-5-10-16(13)18-12-17(20)14-8-6-9-15(11-14)23(21,22)19(2)3/h4-11,18H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide?
N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide is sourced from PubChem (CID 110824385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).