3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide

C17H19NO3S — CID 43021359

IUPAC3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)C(C)c2ccccc2)c1
InChIInChI=1S/C17H19NO3S/c1-13(15-8-5-4-6-9-15)18(3)22(20,21)17-11-7-10-16(12-17)14(2)19/h4-13H,1-3H3
InChIKeyCBSXJEJAOQMLLN-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.27
Rot. Bonds5

About 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide

3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 43021359) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID43021359
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)C(C)c2ccccc2)c1
InChIInChI=1S/C17H19NO3S/c1-13(15-8-5-4-6-9-15)18(3)22(20,21)17-11-7-10-16(12-17)14(2)19/h4-13H,1-3H3
InChIKeyCBSXJEJAOQMLLN-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
3-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylbenzenesulfonamide
CID 46452847
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61140353
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 43021359) is 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)C(C)c2ccccc2)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is CBSXJEJAOQMLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(15-8-5-4-6-9-15)18(3)22(20,21)17-11-7-10-16(12-17)14(2)19/h4-13H,1-3H3.
What are the key properties of 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 43021359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).