4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C17H18F3NO2S — CID 3792229

IUPAC4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2S/c1-2-5-13-8-10-15(11-9-13)24(22,23)21-12-14-6-3-4-7-16(14)17(18,19)20/h3-4,6-11,21H,2,5,12H2,1H3
InChIKeyATZNCLIJTCVQPR-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.14
Rot. Bonds6

About 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3792229) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3792229
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2S/c1-2-5-13-8-10-15(11-9-13)24(22,23)21-12-14-6-3-4-7-16(14)17(18,19)20/h3-4,6-11,21H,2,5,12H2,1H3
InChIKeyATZNCLIJTCVQPR-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-propylbenzenesulfonamide
CID 47029544
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3855876
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-iodo-4-propylbenzenesulfonamide
CID 143564822
4-propyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553802
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3792229) is 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ATZNCLIJTCVQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c1-2-5-13-8-10-15(11-9-13)24(22,23)21-12-14-6-3-4-7-16(14)17(18,19)20/h3-4,6-11,21H,2,5,12H2,1H3.
What are the key properties of 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).