N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide

C17H19NO3S — CID 795024

IUPACN-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-11-9-12(2)17(13(3)10-11)22(20,21)18-16-7-5-15(6-8-16)14(4)19/h5-10,18H,1-4H3
InChIKeyGOUIPNRTUDVRKG-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.62
Rot. Bonds4

About N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 795024) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID795024
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-11-9-12(2)17(13(3)10-11)22(20,21)18-16-7-5-15(6-8-16)14(4)19/h5-10,18H,1-4H3
InChIKeyGOUIPNRTUDVRKG-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 795024) is N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is GOUIPNRTUDVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-11-9-12(2)17(13(3)10-11)22(20,21)18-16-7-5-15(6-8-16)14(4)19/h5-10,18H,1-4H3.
What are the key properties of N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 795024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).