N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide

C9H11F3N2O2S — CID 43453835

IUPACN-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O2S/c1-13-17(15,16)8-4-2-7(3-5-8)14-6-9(10,11)12/h2-5,13-14H,6H2,1H3
InChIKeyOCWJYPMGQMBUEO-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.57
Rot. Bonds4

About N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide

N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide (PubChem CID 43453835) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
PubChem CID43453835
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O2S/c1-13-17(15,16)8-4-2-7(3-5-8)14-6-9(10,11)12/h2-5,13-14H,6H2,1H3
InChIKeyOCWJYPMGQMBUEO-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551
4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 54932320
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide (CID 43453835) is N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCC(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide?
The InChIKey is OCWJYPMGQMBUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-13-17(15,16)8-4-2-7(3-5-8)14-6-9(10,11)12/h2-5,13-14H,6H2,1H3.
What are the key properties of N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide?
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide has a molecular weight of 268.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide is sourced from PubChem (CID 43453835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).