N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide

C17H19F3N2O2S — CID 70939828

IUPACN-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H19F3N2O2S/c1-12(2)25(23,24)22-16-7-3-13(4-8-16)11-21-15-9-5-14(6-10-15)17(18,19)20/h3-10,12,21-22H,11H2,1-2H3
InChIKeyLBIDEQHJSRCFGV-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide

N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide (PubChem CID 70939828) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
PubChem CID70939828
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC NameN-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H19F3N2O2S/c1-12(2)25(23,24)22-16-7-3-13(4-8-16)11-21-15-9-5-14(6-10-15)17(18,19)20/h3-10,12,21-22H,11H2,1-2H3
InChIKeyLBIDEQHJSRCFGV-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939271
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
N-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)aniline
CID 22353776
N-[4-[[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]propane-2-sulfonamide
CID 70939895
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749214

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide (CID 70939828) is N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide?
The InChIKey is LBIDEQHJSRCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-12(2)25(23,24)22-16-7-3-13(4-8-16)11-21-15-9-5-14(6-10-15)17(18,19)20/h3-10,12,21-22H,11H2,1-2H3.
What are the key properties of N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide?
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide has a molecular weight of 372.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 70939828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).