N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide

C14H8F5NO3S — CID 58086928

IUPACN-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
InChIKeyHTVNXRNBUKJLBE-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.60
Rot. Bonds4

About N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 58086928) has the molecular formula C14H8F5NO3S and a molecular weight of 365.28 g/mol. Its IUPAC name is N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID58086928
Molecular FormulaC14H8F5NO3S
Molecular Weight365.28 g/mol
Exact Mass365.01
IUPAC NameN-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H
InChIKeyHTVNXRNBUKJLBE-UHFFFAOYSA-N
XLogP3.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 58086928) is N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide is O=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HTVNXRNBUKJLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO3S/c15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19/h1-7,20H.
What are the key properties of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.28 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 58086928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).