N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C16H16F3NO2S — CID 43012056

IUPACN-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H16F3NO2S/c1-12(13-6-3-2-4-7-13)11-20-23(21,22)15-9-5-8-14(10-15)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyKYRYKDIDQKHZRT-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.79
Rot. Bonds5

About N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 43012056) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID43012056
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC NameN-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H16F3NO2S/c1-12(13-6-3-2-4-7-13)11-20-23(21,22)15-9-5-8-14(10-15)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyKYRYKDIDQKHZRT-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43606280
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 43012056) is N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KYRYKDIDQKHZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-12(13-6-3-2-4-7-13)11-20-23(21,22)15-9-5-8-14(10-15)16(17,18)19/h2-10,12,20H,11H2,1H3.
What are the key properties of N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43012056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).