N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C20H15ClF3NO2S — CID 134904226

IUPACN-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H15ClF3NO2S/c21-17-6-4-5-15(13-17)19(14-9-11-16(12-10-14)20(22,23)24)25-28(26,27)18-7-2-1-3-8-18/h1-13,19,25H
InChIKeyNMTWHTPFWPWMOZ-UHFFFAOYSA-N
MW425.86 g/mol
LogP5.43
Rot. Bonds5

About N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 134904226) has the molecular formula C20H15ClF3NO2S and a molecular weight of 425.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID134904226
Molecular FormulaC20H15ClF3NO2S
Molecular Weight425.86 g/mol
Exact Mass425.05
IUPAC NameN-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H15ClF3NO2S/c21-17-6-4-5-15(13-17)19(14-9-11-16(12-10-14)20(22,23)24)25-28(26,27)18-7-2-1-3-8-18/h1-13,19,25H
InChIKeyNMTWHTPFWPWMOZ-UHFFFAOYSA-N
XLogP5.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.86
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-4-chlorobenzenesulfonamide
CID 985375
2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide
CID 171061367
4-chloro-N-[(E)-1-phenyl-2-propylhex-2-enyl]benzenesulfonamide
CID 5771860
N-[(1R)-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-enyl]benzenesulfonamide
CID 6636129
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[(3-chloro-2,6-difluorophenyl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 3679833
N-[(E,1R)-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-enyl]benzenesulfonamide
CID 44592788
N-[(E,1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide
CID 44592826
N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 177376829
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 22141549
N-[(E)-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-enyl]benzenesulfonamide
CID 5771852

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 134904226) is N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NC(c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is NMTWHTPFWPWMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO2S/c21-17-6-4-5-15(13-17)19(14-9-11-16(12-10-14)20(22,23)24)25-28(26,27)18-7-2-1-3-8-18/h1-13,19,25H.
What are the key properties of N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 425.86 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 134904226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).