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

C15H13F2N3O3S — CID 141009783

IUPAC4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1occc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13F2N3O3S/c1-9-12(6-7-23-9)14-8-13(15(16)17)19-20(14)10-2-4-11(5-3-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
InChIKeyTWDIDMXRVAQIKF-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.03
Rot. Bonds4

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

4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 141009783) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID141009783
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1occc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13F2N3O3S/c1-9-12(6-7-23-9)14-8-13(15(16)17)19-20(14)10-2-4-11(5-3-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
InChIKeyTWDIDMXRVAQIKF-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-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (CID 141009783) is 4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is Cc1occc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is TWDIDMXRVAQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c1-9-12(6-7-23-9)14-8-13(15(16)17)19-20(14)10-2-4-11(5-3-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22).
What are the key properties of 4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(2-methylfuran-3-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-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 141009783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).