(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid

C24H20F2N4O4S — CID 71071039

IUPAC(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid
SMILESCCn1cc(-c2ccncc2)c(-c2cccc(N(C(=O)O)S(=O)(=O)c3cc(F)ccc3F)c2C)n1
InChIInChI=1S/C24H20F2N4O4S/c1-3-29-14-19(16-9-11-27-12-10-16)23(28-29)18-5-4-6-21(15(18)2)30(24(31)32)35(33,34)22-13-17(25)7-8-20(22)26/h4-14H,3H2,1-2H3,(H,31,32)
InChIKeyQOJWDMCGNFJGDG-UHFFFAOYSA-N
MW498.51 g/mol
LogP5.09
Rot. Bonds6

About (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid

(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid (PubChem CID 71071039) has the molecular formula C24H20F2N4O4S and a molecular weight of 498.51 g/mol. Its IUPAC name is (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid.

Molecular Properties

Compound Name(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid
PubChem CID71071039
Molecular FormulaC24H20F2N4O4S
Molecular Weight498.51 g/mol
Exact Mass498.12
IUPAC Name(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid
SMILESCCn1cc(-c2ccncc2)c(-c2cccc(N(C(=O)O)S(=O)(=O)c3cc(F)ccc3F)c2C)n1
InChIInChI=1S/C24H20F2N4O4S/c1-3-29-14-19(16-9-11-27-12-10-16)23(28-29)18-5-4-6-21(15(18)2)30(24(31)32)35(33,34)22-13-17(25)7-8-20(22)26/h4-14H,3H2,1-2H3,(H,31,32)
InChIKeyQOJWDMCGNFJGDG-UHFFFAOYSA-N
XLogP5.09
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?
The IUPAC name of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid (CID 71071039) is (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid.
What is the SMILES notation for (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?
The canonical SMILES for (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid is CCn1cc(-c2ccncc2)c(-c2cccc(N(C(=O)O)S(=O)(=O)c3cc(F)ccc3F)c2C)n1.
What is the InChIKey of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?
The InChIKey is QOJWDMCGNFJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4S/c1-3-29-14-19(16-9-11-27-12-10-16)23(28-29)18-5-4-6-21(15(18)2)30(24(31)32)35(33,34)22-13-17(25)7-8-20(22)26/h4-14H,3H2,1-2H3,(H,31,32).
What are the key properties of (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid?
(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid has a molecular weight of 498.51 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid is sourced from PubChem (CID 71071039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).