N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H13FN4O3S — CID 119052088

IUPACN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C14H13FN4O3S/c1-8-14(9(2)22-18-8)23(20,21)19-12-7-16-17-13(12)10-5-3-4-6-11(10)15/h3-7,19H,1-2H3,(H,16,17)
InChIKeyDQGBBCSULWFWNS-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.62
Rot. Bonds4

About N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 119052088) has the molecular formula C14H13FN4O3S and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID119052088
Molecular FormulaC14H13FN4O3S
Molecular Weight336.35 g/mol
Exact Mass336.07
IUPAC NameN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C14H13FN4O3S/c1-8-14(9(2)22-18-8)23(20,21)19-12-7-16-17-13(12)10-5-3-4-6-11(10)15/h3-7,19H,1-2H3,(H,16,17)
InChIKeyDQGBBCSULWFWNS-UHFFFAOYSA-N
XLogP2.62
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 119052088) is N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cn[nH]c1-c1ccccc1F.
What is the InChIKey of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is DQGBBCSULWFWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3S/c1-8-14(9(2)22-18-8)23(20,21)19-12-7-16-17-13(12)10-5-3-4-6-11(10)15/h3-7,19H,1-2H3,(H,16,17).
What are the key properties of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 336.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 119052088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).