4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide

C15H13F2N3O3S — CID 10618038

IUPAC4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C15H13F2N3O3S/c1-9-2-7-14(23-9)13-8-12(15(16)17)19-20(13)10-3-5-11(6-4-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
InChIKeyQVLCAQOXXBVBFR-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.03
Rot. Bonds4

About 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10618038) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10618038
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C15H13F2N3O3S/c1-9-2-7-14(23-9)13-8-12(15(16)17)19-20(13)10-3-5-11(6-4-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
InChIKeyQVLCAQOXXBVBFR-UHFFFAOYSA-N
XLogP3.03
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 10618038) is 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is QVLCAQOXXBVBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c1-9-2-7-14(23-9)13-8-12(15(16)17)19-20(13)10-3-5-11(6-4-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22).
What are the key properties of 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 353.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10618038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).