N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide

C14H11ClF3NO3S — CID 46191486

IUPACN-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-23(20,21)19-10-4-7-12(13(15)8-10)9-2-5-11(6-3-9)22-14(16,17)18/h2-8,19H,1H3
InChIKeyBTFGZVBQNNAYCH-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.28
Rot. Bonds4

About N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide

N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide (PubChem CID 46191486) has the molecular formula C14H11ClF3NO3S and a molecular weight of 365.76 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
PubChem CID46191486
Molecular FormulaC14H11ClF3NO3S
Molecular Weight365.76 g/mol
Exact Mass365.01
IUPAC NameN-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-23(20,21)19-10-4-7-12(13(15)8-10)9-2-5-11(6-3-9)22-14(16,17)18/h2-8,19H,1H3
InChIKeyBTFGZVBQNNAYCH-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide 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

2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
2-chloro-4-(sulfamoylamino)-1-[4-(trifluoromethyl)phenyl]benzene
CID 11428075
N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 42628828
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
CID 134622938
N-[4-[6-oxo-3-(trifluoromethoxy)-5H-benzo[b][1,4]benzoxazepin-8-yl]phenyl]methanesulfonamide
CID 139467935
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide (CID 46191486) is N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
The InChIKey is BTFGZVBQNNAYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO3S/c1-23(20,21)19-10-4-7-12(13(15)8-10)9-2-5-11(6-3-9)22-14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide has a molecular weight of 365.76 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 46191486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).