2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide

C10H10ClF2N5O2S — CID 71967596

IUPAC2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H10ClF2N5O2S/c11-6-3-7(10(14)15-4-6)21(19,20)17-9-1-2-18(16-9)5-8(12)13/h1-4,8H,5H2,(H2,14,15)(H,16,17)
InChIKeyZZJBKWFZAJVEGA-UHFFFAOYSA-N
MW337.74 g/mol
LogP1.58
Rot. Bonds5

About 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide

2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide (PubChem CID 71967596) has the molecular formula C10H10ClF2N5O2S and a molecular weight of 337.74 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide
PubChem CID71967596
Molecular FormulaC10H10ClF2N5O2S
Molecular Weight337.74 g/mol
Exact Mass337.02
IUPAC Name2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H10ClF2N5O2S/c11-6-3-7(10(14)15-4-6)21(19,20)17-9-1-2-18(16-9)5-8(12)13/h1-4,8H,5H2,(H2,14,15)(H,16,17)
InChIKeyZZJBKWFZAJVEGA-UHFFFAOYSA-N
XLogP1.58
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide (CID 71967596) is 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide is Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide?
The InChIKey is ZZJBKWFZAJVEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N5O2S/c11-6-3-7(10(14)15-4-6)21(19,20)17-9-1-2-18(16-9)5-8(12)13/h1-4,8H,5H2,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide?
2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide has a molecular weight of 337.74 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 71967596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).