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

C15H13F2NO5S2 — CID 2445826

IUPAC4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C15H13F2NO5S2/c1-10(19)11-2-6-14(7-3-11)25(22,23)18-12-4-8-13(9-5-12)24(20,21)15(16)17/h2-9,15,18H,1H3
InChIKeyITFYQUPJJORYBL-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.69
Rot. Bonds6

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

4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 2445826) has the molecular formula C15H13F2NO5S2 and a molecular weight of 389.40 g/mol. Its IUPAC name is 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID2445826
Molecular FormulaC15H13F2NO5S2
Molecular Weight389.40 g/mol
Exact Mass389.02
IUPAC Name4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C15H13F2NO5S2/c1-10(19)11-2-6-14(7-3-11)25(22,23)18-12-4-8-13(9-5-12)24(20,21)15(16)17/h2-9,15,18H,1H3
InChIKeyITFYQUPJJORYBL-UHFFFAOYSA-N
XLogP2.69
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 2445826) is 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is ITFYQUPJJORYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO5S2/c1-10(19)11-2-6-14(7-3-11)25(22,23)18-12-4-8-13(9-5-12)24(20,21)15(16)17/h2-9,15,18H,1H3.
What are the key properties of 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2445826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).