N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide

C10H10F3N3O2S — CID 120998831

IUPACN-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCCN)ccc1C(F)(F)F
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)9-2-1-8(5-7(9)6-15)19(17,18)16-4-3-14/h1-2,5,16H,3-4,14H2
InChIKeyICOICGHQSWWEGR-UHFFFAOYSA-N
MW293.27 g/mol
LogP0.81
Rot. Bonds4

About N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide

N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 120998831) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide
PubChem CID120998831
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC NameN-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCCN)ccc1C(F)(F)F
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)9-2-1-8(5-7(9)6-15)19(17,18)16-4-3-14/h1-2,5,16H,3-4,14H2
InChIKeyICOICGHQSWWEGR-UHFFFAOYSA-N
XLogP0.81
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-cyano-4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 120728768
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119973335
N-(2-amino-2-methylpropyl)-4-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 119988446
3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide
CID 120998884
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
3-cyano-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239719
3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 63288706

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide (CID 120998831) is N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)NCCN)ccc1C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ICOICGHQSWWEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c11-10(12,13)9-2-1-8(5-7(9)6-15)19(17,18)16-4-3-14/h1-2,5,16H,3-4,14H2.
What are the key properties of N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide?
N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 293.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120998831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).