4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide

C17H19NO3S — CID 5180970

IUPAC4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H19NO3S/c1-4-18(16-7-5-6-13(2)12-16)22(20,21)17-10-8-15(9-11-17)14(3)19/h5-12H,4H2,1-3H3
InChIKeyUAIXVDNLXYDFCU-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.41
Rot. Bonds5

About 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide

4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 5180970) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID5180970
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H19NO3S/c1-4-18(16-7-5-6-13(2)12-16)22(20,21)17-10-8-15(9-11-17)14(3)19/h5-12H,4H2,1-3H3
InChIKeyUAIXVDNLXYDFCU-UHFFFAOYSA-N
XLogP3.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-(3-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109058243
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777
3-[ethyl-(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 54004952
4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3781251
N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 109065532
3-[ethyl-(3-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063706
N-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 872481
N-ethyl-2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 62146204
4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
CID 50890034

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide (CID 5180970) is 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is UAIXVDNLXYDFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-4-18(16-7-5-6-13(2)12-16)22(20,21)17-10-8-15(9-11-17)14(3)19/h5-12H,4H2,1-3H3.
What are the key properties of 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 5180970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).