4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide

C20H20N4O3S2 — CID 155557877

IUPAC4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCSCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O3S2/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)
InChIKeyCCCROWRPYAZVBI-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.38
Rot. Bonds4

About 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide

4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155557877) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155557877
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCSCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O3S2/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)
InChIKeyCCCROWRPYAZVBI-UHFFFAOYSA-N
XLogP2.38
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155557877) is 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCSCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CCCROWRPYAZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27).
What are the key properties of 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 428.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155557877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).