2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide

C17H12F2N4O3S2 — CID 90571280

IUPAC2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2F)n(-c2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C17H12F2N4O3S2/c1-10-7-16(22-28(24,25)15-8-11(18)4-5-12(15)19)23(21-10)17-20-13(9-27-17)14-3-2-6-26-14/h2-9,22H,1H3
InChIKeyIPJBBPBVRJVQRY-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.98
Rot. Bonds5

About 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide

2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 90571280) has the molecular formula C17H12F2N4O3S2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
PubChem CID90571280
Molecular FormulaC17H12F2N4O3S2
Molecular Weight422.44 g/mol
Exact Mass422.03
IUPAC Name2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2F)n(-c2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C17H12F2N4O3S2/c1-10-7-16(22-28(24,25)15-8-11(18)4-5-12(15)19)23(21-10)17-20-13(9-27-17)14-3-2-6-26-14/h2-9,22H,1H3
InChIKeyIPJBBPBVRJVQRY-UHFFFAOYSA-N
XLogP3.98
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571289
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571226
methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate
CID 90571288
3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 90571163
2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide
CID 90571252
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 90571121
1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea
CID 90571218
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90571131
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90571069
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90571164
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide
CID 90571100

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide (CID 90571280) is 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(F)ccc2F)n(-c2nc(-c3ccco3)cs2)n1.
What is the InChIKey of 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is IPJBBPBVRJVQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3S2/c1-10-7-16(22-28(24,25)15-8-11(18)4-5-12(15)19)23(21-10)17-20-13(9-27-17)14-3-2-6-26-14/h2-9,22H,1H3.
What are the key properties of 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?
2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 422.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 90571280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).