4-acetyl-N-phenylbenzenesulfonamide

C14H13NO3S — CID 7022526

IUPAC4-acetyl-N-phenylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKeySWOITTWWCRUZRI-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.69
Rot. Bonds4

About 4-acetyl-N-phenylbenzenesulfonamide

4-acetyl-N-phenylbenzenesulfonamide (PubChem CID 7022526) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-acetyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-phenylbenzenesulfonamide
PubChem CID7022526
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name4-acetyl-N-phenylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKeySWOITTWWCRUZRI-UHFFFAOYSA-N
XLogP2.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-phenylbenzenesulfonamide (CID 7022526) is 4-acetyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-phenylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-phenylbenzenesulfonamide?
The InChIKey is SWOITTWWCRUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3.
What are the key properties of 4-acetyl-N-phenylbenzenesulfonamide?
4-acetyl-N-phenylbenzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 7022526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).