N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C15H9F6NO3S — CID 46918837

IUPACN-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6NO3S/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)26(24,25)22-13-4-2-1-3-9(13)8-23/h1-8,22H
InChIKeyNRSADJYSVPMZSX-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.34
Rot. Bonds4

About N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 46918837) has the molecular formula C15H9F6NO3S and a molecular weight of 397.30 g/mol. Its IUPAC name is N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID46918837
Molecular FormulaC15H9F6NO3S
Molecular Weight397.30 g/mol
Exact Mass397.02
IUPAC NameN-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6NO3S/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)26(24,25)22-13-4-2-1-3-9(13)8-23/h1-8,22H
InChIKeyNRSADJYSVPMZSX-UHFFFAOYSA-N
XLogP4.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.34
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)-4-(trifluoromethyl)benzenesulfonamide
CID 22185560
N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 51557585
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
N-[3-[(2-formylphenyl)sulfamoyl]phenyl]acetamide
CID 175447480
N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 177440182
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 162366531
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
3-[4-[(2-formylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanoic acid
CID 174843363
N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 162582675
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-isoquinolin-1-yl-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 74228494
N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26949766

Frequently Asked Questions

What is the IUPAC name of N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 46918837) is N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is O=Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is NRSADJYSVPMZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO3S/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)26(24,25)22-13-4-2-1-3-9(13)8-23/h1-8,22H.
What are the key properties of N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 397.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46918837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).