N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C14H10F5NO3S — CID 3258852

IUPACN-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F5NO3S/c15-10-5-9(6-11(16)7-10)8-20-24(21,22)13-3-1-12(2-4-13)23-14(17,18)19/h1-7,20H,8H2
InChIKeyXKVLISVZCOYDQY-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.34
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3258852) has the molecular formula C14H10F5NO3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3258852
Molecular FormulaC14H10F5NO3S
Molecular Weight367.30 g/mol
Exact Mass367.03
IUPAC NameN-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F5NO3S/c15-10-5-9(6-11(16)7-10)8-20-24(21,22)13-3-1-12(2-4-13)23-14(17,18)19/h1-7,20H,8H2
InChIKeyXKVLISVZCOYDQY-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3801514
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3543365
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99802899
N-[[3-[(1R)-1-cyanopropoxy]phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862059
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-[[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
CID 141309328

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 3258852) is N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XKVLISVZCOYDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO3S/c15-10-5-9(6-11(16)7-10)8-20-24(21,22)13-3-1-12(2-4-13)23-14(17,18)19/h1-7,20H,8H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 367.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3258852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).