4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C19H16ClN3O2S2 — CID 127037904

IUPAC4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O2S2/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)
InChIKeyFEXBXMJXXABDQF-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.40
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 127037904) has the molecular formula C19H16ClN3O2S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID127037904
Molecular FormulaC19H16ClN3O2S2
Molecular Weight417.94 g/mol
Exact Mass417.04
IUPAC Name4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O2S2/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)
InChIKeyFEXBXMJXXABDQF-UHFFFAOYSA-N
XLogP4.40
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 127037904) is 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is FEXBXMJXXABDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S2/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25).
What are the key properties of 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 417.94 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 127037904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).