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

C19H22F3NO2S — CID 10643804

IUPACN-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3NO2S/c1-13(2)26(24,25)23-12-14(3)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyDBDZAAXTSNZZAV-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.80
Rot. Bonds6

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

N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide (PubChem CID 10643804) has the molecular formula C19H22F3NO2S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide
PubChem CID10643804
Molecular FormulaC19H22F3NO2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC NameN-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3NO2S/c1-13(2)26(24,25)23-12-14(3)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyDBDZAAXTSNZZAV-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(hydroxymethyl)-6-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]anilino]hexanoic acid
CID 58613162
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
1-(1-benzylsulfonylpropan-2-yl)-4-(trifluoromethyl)benzene
CID 135065934
N-[2-[4-(4-ethylphenyl)phenyl]propyl]propane-1-sulfonamide
CID 174487489
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
N-[2-fluoro-2-[4-(4-isocyanophenyl)phenyl]propyl]propane-2-sulfonamide
CID 23567058
N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide
CID 78162027
1-[(1R)-1-ethylsulfonylethyl]-4-(trifluoromethyl)benzene
CID 95322532
N-[2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexen-1-yl]phenyl]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18713949
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
(3S)-3-[4-(trifluoromethyl)phenyl]butanenitrile
CID 124509787

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide (CID 10643804) is N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide?
The InChIKey is DBDZAAXTSNZZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2S/c1-13(2)26(24,25)23-12-14(3)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3.
What are the key properties of N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide?
N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10643804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).