N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide

C12H14F4N2O2S — CID 120582930

IUPACN-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNC(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1
InChIInChI=1S/C12H14F4N2O2S/c13-9-4-3-8(12(14,15)16)5-11(9)21(19,20)18-6-10(17)7-1-2-7/h3-5,7,10,18H,1-2,6,17H2
InChIKeyMXBALZJDDOIXJF-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.86
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 120582930) has the molecular formula C12H14F4N2O2S and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID120582930
Molecular FormulaC12H14F4N2O2S
Molecular Weight326.32 g/mol
Exact Mass326.07
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNC(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1
InChIInChI=1S/C12H14F4N2O2S/c13-9-4-3-8(12(14,15)16)5-11(9)21(19,20)18-6-10(17)7-1-2-7/h3-5,7,10,18H,1-2,6,17H2
InChIKeyMXBALZJDDOIXJF-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582373
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
N-(3-aminopropyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 91659841
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide (CID 120582930) is N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide is NC(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MXBALZJDDOIXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2S/c13-9-4-3-8(12(14,15)16)5-11(9)21(19,20)18-6-10(17)7-1-2-7/h3-5,7,10,18H,1-2,6,17H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 326.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120582930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).