3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide

C17H19ClN2O3S — CID 110824420

IUPAC3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(NCC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-8-14(10-16(12)18)19-11-17(21)13-5-4-6-15(9-13)24(22,23)20(2)3/h4-10,19H,11H2,1-3H3
InChIKeyCKJOXPVFSVFUKH-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.19
Rot. Bonds6

About 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide

3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 110824420) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide
PubChem CID110824420
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(NCC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-8-14(10-16(12)18)19-11-17(21)13-5-4-6-15(9-13)24(22,23)20(2)3/h4-10,19H,11H2,1-3H3
InChIKeyCKJOXPVFSVFUKH-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide
CID 110824384
N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide
CID 110824385
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N,N-dimethyl-3-[2-(2-methyl-5-nitroanilino)acetyl]benzenesulfonamide
CID 110824430
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828908

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide (CID 110824420) is 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide is Cc1ccc(NCC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl.
What is the InChIKey of 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CKJOXPVFSVFUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-7-8-14(10-16(12)18)19-11-17(21)13-5-4-6-15(9-13)24(22,23)20(2)3/h4-10,19H,11H2,1-3H3.
What are the key properties of 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide?
3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 110824420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).