5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide

C9H8F2N4O2S — CID 61076416

IUPAC5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(F)c1F
InChIInChI=1S/C9H8F2N4O2S/c10-5-2-1-3-6(8(5)11)15-18(16,17)7-4-13-14-9(7)12/h1-4,15H,(H3,12,13,14)
InChIKeySXEWNDRMAWXCOY-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.07
Rot. Bonds3

About 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61076416) has the molecular formula C9H8F2N4O2S and a molecular weight of 274.25 g/mol. Its IUPAC name is 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61076416
Molecular FormulaC9H8F2N4O2S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC Name5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(F)c1F
InChIInChI=1S/C9H8F2N4O2S/c10-5-2-1-3-6(8(5)11)15-18(16,17)7-4-13-14-9(7)12/h1-4,15H,(H3,12,13,14)
InChIKeySXEWNDRMAWXCOY-UHFFFAOYSA-N
XLogP1.07
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide (CID 61076416) is 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1cccc(F)c1F.
What is the InChIKey of 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SXEWNDRMAWXCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2S/c10-5-2-1-3-6(8(5)11)15-18(16,17)7-4-13-14-9(7)12/h1-4,15H,(H3,12,13,14).
What are the key properties of 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 274.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61076416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).