4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide

C15H13F2NO3S2 — CID 3752042

IUPAC4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C15H13F2NO3S2/c1-10(19)11-2-8-14(9-3-11)23(20,21)18-12-4-6-13(7-5-12)22-15(16)17/h2-9,15,18H,1H3
InChIKeyUKQVJIHXVKQSNG-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.00
Rot. Bonds6

About 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide

4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide (PubChem CID 3752042) has the molecular formula C15H13F2NO3S2 and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
PubChem CID3752042
Molecular FormulaC15H13F2NO3S2
Molecular Weight357.40 g/mol
Exact Mass357.03
IUPAC Name4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C15H13F2NO3S2/c1-10(19)11-2-8-14(9-3-11)23(20,21)18-12-4-6-13(7-5-12)22-15(16)17/h2-9,15,18H,1H3
InChIKeyUKQVJIHXVKQSNG-UHFFFAOYSA-N
XLogP4.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide (CID 3752042) is 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The InChIKey is UKQVJIHXVKQSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S2/c1-10(19)11-2-8-14(9-3-11)23(20,21)18-12-4-6-13(7-5-12)22-15(16)17/h2-9,15,18H,1H3.
What are the key properties of 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3752042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).