N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide

C8H14F2N4O2S — CID 107493838

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H14F2N4O2S/c1-13-8(2-4-12-13)17(15,16)14(5-3-11)6-7(9)10/h2,4,7H,3,5-6,11H2,1H3
InChIKeyPISVALSUHREJJV-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.37
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 107493838) has the molecular formula C8H14F2N4O2S and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
PubChem CID107493838
Molecular FormulaC8H14F2N4O2S
Molecular Weight268.29 g/mol
Exact Mass268.08
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H14F2N4O2S/c1-13-8(2-4-12-13)17(15,16)14(5-3-11)6-7(9)10/h2,4,7H,3,5-6,11H2,1H3
InChIKeyPISVALSUHREJJV-UHFFFAOYSA-N
XLogP-0.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide (CID 107493838) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is PISVALSUHREJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O2S/c1-13-8(2-4-12-13)17(15,16)14(5-3-11)6-7(9)10/h2,4,7H,3,5-6,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 268.29 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 107493838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).