2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H9F2N3O4S — CID 43511066

IUPAC2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C11H9F2N3O4S/c12-7-1-8(13)3-9(2-7)15-21(19,20)10-4-14-16(5-10)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyBACFKDWCTWHQSN-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.05
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511066) has the molecular formula C11H9F2N3O4S and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511066
Molecular FormulaC11H9F2N3O4S
Molecular Weight317.27 g/mol
Exact Mass317.03
IUPAC Name2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C11H9F2N3O4S/c12-7-1-8(13)3-9(2-7)15-21(19,20)10-4-14-16(5-10)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyBACFKDWCTWHQSN-UHFFFAOYSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511066) is 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is BACFKDWCTWHQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O4S/c12-7-1-8(13)3-9(2-7)15-21(19,20)10-4-14-16(5-10)6-11(17)18/h1-5,15H,6H2,(H,17,18).
What are the key properties of 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 317.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).