1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide

C7H12F2N4O2S — CID 115409125

IUPAC1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCC(F)F)cn1
InChIInChI=1S/C7H12F2N4O2S/c8-7(9)4-12-16(14,15)6-3-11-13(5-6)2-1-10/h3,5,7,12H,1-2,4,10H2
InChIKeyFIFFMXHKYFOEKW-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.61
Rot. Bonds6

About 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide (PubChem CID 115409125) has the molecular formula C7H12F2N4O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
PubChem CID115409125
Molecular FormulaC7H12F2N4O2S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCC(F)F)cn1
InChIInChI=1S/C7H12F2N4O2S/c8-7(9)4-12-16(14,15)6-3-11-13(5-6)2-1-10/h3,5,7,12H,1-2,4,10H2
InChIKeyFIFFMXHKYFOEKW-UHFFFAOYSA-N
XLogP-0.61
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115522912
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423982
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide (CID 115409125) is 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)NCC(F)F)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is FIFFMXHKYFOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2S/c8-7(9)4-12-16(14,15)6-3-11-13(5-6)2-1-10/h3,5,7,12H,1-2,4,10H2.
What are the key properties of 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 115409125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).