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

C13H19F3N2O2S — CID 120665056

IUPACN-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2S/c1-4-17-10(3)8-18-21(19,20)11-6-5-9(2)12(7-11)13(14,15)16/h5-7,10,17-18H,4,8H2,1-3H3/t10-/m1/s1
InChIKeySSCFBTOSRAXSIP-SNVBAGLBSA-N
MW324.37 g/mol
LogP2.29
Rot. Bonds6

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

N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 120665056) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID120665056
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2S/c1-4-17-10(3)8-18-21(19,20)11-6-5-9(2)12(7-11)13(14,15)16/h5-7,10,17-18H,4,8H2,1-3H3/t10-/m1/s1
InChIKeySSCFBTOSRAXSIP-SNVBAGLBSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 120664946
N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 120664886
4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119972929
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120665053
N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 51102093
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 120664861
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 120665056) is N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is CCN[C@H](C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SSCFBTOSRAXSIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-4-17-10(3)8-18-21(19,20)11-6-5-9(2)12(7-11)13(14,15)16/h5-7,10,17-18H,4,8H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120665056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).