N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide

C14H12F3NO3S — CID 3251933

IUPACN-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c1-10-2-4-11(5-3-10)18-22(19,20)13-8-6-12(7-9-13)21-14(15,16)17/h2-9,18H,1H3
InChIKeyPVQXSNSQOGYHPB-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.69
Rot. Bonds4

About N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3251933) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3251933
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC NameN-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c1-10-2-4-11(5-3-10)18-22(19,20)13-8-6-12(7-9-13)21-14(15,16)17/h2-9,18H,1H3
InChIKeyPVQXSNSQOGYHPB-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3251933) is N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PVQXSNSQOGYHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-10-2-4-11(5-3-10)18-22(19,20)13-8-6-12(7-9-13)21-14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3251933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).