N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide

C17H20N2O3S — CID 110824384

IUPACN,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide
SMILESCc1ccc(NCC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-7-9-15(10-8-13)18-12-17(20)14-5-4-6-16(11-14)23(21,22)19(2)3/h4-11,18H,12H2,1-3H3
InChIKeyFRTVUYPXVFSDFT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.54
Rot. Bonds6

About N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide

N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide (PubChem CID 110824384) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide
PubChem CID110824384
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide
SMILESCc1ccc(NCC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-7-9-15(10-8-13)18-12-17(20)14-5-4-6-16(11-14)23(21,22)19(2)3/h4-11,18H,12H2,1-3H3
InChIKeyFRTVUYPXVFSDFT-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

3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide
CID 110824420
N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide
CID 110824385
N,N-dimethyl-3-[2-(2-methyl-5-nitroanilino)acetyl]benzenesulfonamide
CID 110824430
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
2-(4-methylanilino)-1-phenylethanone
CID 4230722
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
N'-[2-(4-methylanilino)acetyl]-3-methylsulfonylbenzohydrazide
CID 55350628
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide (CID 110824384) is N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide is Cc1ccc(NCC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide?
The InChIKey is FRTVUYPXVFSDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-7-9-15(10-8-13)18-12-17(20)14-5-4-6-16(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-(4-methylanilino)acetyl]benzenesulfonamide?
N,N-dimethyl-3-[2-(4-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-(4-methylanilino)acetyl]benzenesulfonamide is sourced from PubChem (CID 110824384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).