4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide

C21H20N2O3S — CID 58317769

IUPAC4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccccc2CC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-6-10-18(11-7-15)23-20-5-3-2-4-17(20)14-21(24)16-8-12-19(13-9-16)27(22,25)26/h2-13,23H,14H2,1H3,(H2,22,25,26)
InChIKeyHTEPTKWQKCRCGL-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.81
Rot. Bonds6

About 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide

4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide (PubChem CID 58317769) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide
PubChem CID58317769
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccccc2CC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-6-10-18(11-7-15)23-20-5-3-2-4-17(20)14-21(24)16-8-12-19(13-9-16)27(22,25)26/h2-13,23H,14H2,1H3,(H2,22,25,26)
InChIKeyHTEPTKWQKCRCGL-UHFFFAOYSA-N
XLogP3.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-hydroxyethyl)anilino]benzenesulfonamide
CID 175398459
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
4-propanoylbenzenesulfonamide
CID 70209431
2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline
CID 63759186
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
aminourea;4-methylbenzenesulfonamide
CID 174801132
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
[(S)-(4-methylphenyl)-phenylmethyl]-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
CID 9391984
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide?
The IUPAC name of 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide (CID 58317769) is 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide is Cc1ccc(Nc2ccccc2CC(=O)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide?
The InChIKey is HTEPTKWQKCRCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-6-10-18(11-7-15)23-20-5-3-2-4-17(20)14-21(24)16-8-12-19(13-9-16)27(22,25)26/h2-13,23H,14H2,1H3,(H2,22,25,26).
What are the key properties of 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide?
4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide is sourced from PubChem (CID 58317769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).