N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide

C9H10F3NO2S — CID 4637501

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S/c1-16(14,15)13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyQLVCHFPCCXVIDH-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.75
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide

N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide (PubChem CID 4637501) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
PubChem CID4637501
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S/c1-16(14,15)13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyQLVCHFPCCXVIDH-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
CID 70601747
CID 70601747
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
CID 58961002
2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide
CID 70939243
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide (CID 4637501) is N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is QLVCHFPCCXVIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-16(14,15)13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 253.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 4637501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).