2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide

C19H14ClN3O3S — CID 67579897

IUPAC2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccco1
InChIInChI=1S/C19H14ClN3O3S/c20-14-9-7-13(8-10-14)15-12-17(18-5-3-11-26-18)23(22-15)16-4-1-2-6-19(16)27(21,24)25/h1-12H,(H2,21,24,25)
InChIKeyJABLXHGWPBWWAV-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.10
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide

2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67579897) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67579897
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccco1
InChIInChI=1S/C19H14ClN3O3S/c20-14-9-7-13(8-10-14)15-12-17(18-5-3-11-26-18)23(22-15)16-4-1-2-6-19(16)27(21,24)25/h1-12H,(H2,21,24,25)
InChIKeyJABLXHGWPBWWAV-UHFFFAOYSA-N
XLogP4.10
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 67579897) is 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccco1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is JABLXHGWPBWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c20-14-9-7-13(8-10-14)15-12-17(18-5-3-11-26-18)23(22-15)16-4-1-2-6-19(16)27(21,24)25/h1-12H,(H2,21,24,25).
What are the key properties of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67579897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).