4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide

C12H17F3N2O2S — CID 120825538

IUPAC4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O2S/c1-8-4-5-10(6-11(8)12(13,14)15)20(18,19)17-7-9(2)16-3/h4-6,9,16-17H,7H2,1-3H3
InChIKeyMEWBKSDSELUYGQ-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.90
Rot. Bonds5

About 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide

4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 120825538) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID120825538
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O2S/c1-8-4-5-10(6-11(8)12(13,14)15)20(18,19)17-7-9(2)16-3/h4-6,9,16-17H,7H2,1-3H3
InChIKeyMEWBKSDSELUYGQ-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119972929
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055
N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120824647
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 120825538) is 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MEWBKSDSELUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-8-4-5-10(6-11(8)12(13,14)15)20(18,19)17-7-9(2)16-3/h4-6,9,16-17H,7H2,1-3H3.
What are the key properties of 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 310.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120825538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).