1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole

C15H13FN4O2S — CID 142449268

IUPAC1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole
SMILESNS(=O)(=O)Nc1ccc(-c2cnn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C15H13FN4O2S/c16-14-3-1-2-4-15(14)20-10-12(9-18-20)11-5-7-13(8-6-11)19-23(17,21)22/h1-10,19H,(H2,17,21,22)
InChIKeyKVEAQKOCRVNGNM-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.29
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole

1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole (PubChem CID 142449268) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole
PubChem CID142449268
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole
SMILESNS(=O)(=O)Nc1ccc(-c2cnn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C15H13FN4O2S/c16-14-3-1-2-4-15(14)20-10-12(9-18-20)11-5-7-13(8-6-11)19-23(17,21)22/h1-10,19H,(H2,17,21,22)
InChIKeyKVEAQKOCRVNGNM-UHFFFAOYSA-N
XLogP2.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole?
The IUPAC name of 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole (CID 142449268) is 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole?
The canonical SMILES for 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole is NS(=O)(=O)Nc1ccc(-c2cnn(-c3ccccc3F)c2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole?
The InChIKey is KVEAQKOCRVNGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-14-3-1-2-4-15(14)20-10-12(9-18-20)11-5-7-13(8-6-11)19-23(17,21)22/h1-10,19H,(H2,17,21,22).
What are the key properties of 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole?
1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole has a molecular weight of 332.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole is sourced from PubChem (CID 142449268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).