N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide

C14H10F3NO3S — CID 22185560

IUPACN-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)11-5-7-12(8-6-11)22(20,21)18-13-4-2-1-3-10(13)9-19/h1-9,18H
InChIKeyDFRJMZBWYWLTOB-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.32
Rot. Bonds4

About N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 22185560) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID22185560
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC NameN-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)11-5-7-12(8-6-11)22(20,21)18-13-4-2-1-3-10(13)9-19/h1-9,18H
InChIKeyDFRJMZBWYWLTOB-UHFFFAOYSA-N
XLogP3.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 46918837
N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 177440182
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
3-[4-[(2-formylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanoic acid
CID 174843363
N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 172808620
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 155009376
N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
CID 166444640
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 58565728
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 26964948
N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3780778

Frequently Asked Questions

What is the IUPAC name of N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 22185560) is N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide is O=Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DFRJMZBWYWLTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-14(16,17)11-5-7-12(8-6-11)22(20,21)18-13-4-2-1-3-10(13)9-19/h1-9,18H.
What are the key properties of N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 329.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22185560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).