N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide

C7H12F2N4O2S — CID 107493860

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H12F2N4O2S/c8-6(9)5-13(4-2-10)16(14,15)7-1-3-11-12-7/h1,3,6H,2,4-5,10H2,(H,11,12)
InChIKeyATXFCOZMKJQKHQ-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.38
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107493860) has the molecular formula C7H12F2N4O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID107493860
Molecular FormulaC7H12F2N4O2S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H12F2N4O2S/c8-6(9)5-13(4-2-10)16(14,15)7-1-3-11-12-7/h1,3,6H,2,4-5,10H2,(H,11,12)
InChIKeyATXFCOZMKJQKHQ-UHFFFAOYSA-N
XLogP-0.38
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide
CID 102690999
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691536
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692166
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692168

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide (CID 107493860) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide is NCCN(CC(F)F)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ATXFCOZMKJQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2S/c8-6(9)5-13(4-2-10)16(14,15)7-1-3-11-12-7/h1,3,6H,2,4-5,10H2,(H,11,12).
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107493860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).