N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H13F3N2O2S — CID 55024925

IUPACN-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O2S/c1-14-8-3-5-9(6-4-8)18(16,17)15(2)7-10(11,12)13/h3-6,14H,7H2,1-2H3
InChIKeyWDJQZLBPBASOJN-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 55024925) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID55024925
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O2S/c1-14-8-3-5-9(6-4-8)18(16,17)15(2)7-10(11,12)13/h3-6,14H,7H2,1-2H3
InChIKeyWDJQZLBPBASOJN-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145454
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62147634
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387236
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-(methylamino)-N,N-bis(3-methylbutyl)benzenesulfonamide
CID 90764281
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 55024925) is N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CNc1ccc(S(=O)(=O)N(C)CC(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is WDJQZLBPBASOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-14-8-3-5-9(6-4-8)18(16,17)15(2)7-10(11,12)13/h3-6,14H,7H2,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 55024925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).