4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide

C17H19NO3S — CID 101403953

IUPAC4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C(C)(C=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-4-8-15(9-5-13)17(3,12-19)18-22(20,21)16-10-6-14(2)7-11-16/h4-12,18H,1-3H3
InChIKeyGXNWSCMDKKEYFC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.70
Rot. Bonds5

About 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide

4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 101403953) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID101403953
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C(C)(C=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-4-8-15(9-5-13)17(3,12-19)18-22(20,21)16-10-6-14(2)7-11-16/h4-12,18H,1-3H3
InChIKeyGXNWSCMDKKEYFC-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide (CID 101403953) is 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide is Cc1ccc(C(C)(C=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is GXNWSCMDKKEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-4-8-15(9-5-13)17(3,12-19)18-22(20,21)16-10-6-14(2)7-11-16/h4-12,18H,1-3H3.
What are the key properties of 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide?
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 101403953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).