1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide

C19H15N5O3S3 — CID 164625812

IUPAC1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\c3cccs3)cc2-c2cccs2)cc1
InChIInChI=1S/C19H15N5O3S3/c20-30(26,27)15-7-5-13(6-8-15)24-17(18-4-2-10-29-18)11-16(23-24)19(25)22-21-12-14-3-1-9-28-14/h1-12H,(H,22,25)(H2,20,26,27)/b21-12-
InChIKeyVRCRDANSTSWHBQ-MTJSOVHGSA-N
MW457.56 g/mol
LogP3.07
Rot. Bonds6

About 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide

1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide (PubChem CID 164625812) has the molecular formula C19H15N5O3S3 and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide
PubChem CID164625812
Molecular FormulaC19H15N5O3S3
Molecular Weight457.56 g/mol
Exact Mass457.03
IUPAC Name1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\c3cccs3)cc2-c2cccs2)cc1
InChIInChI=1S/C19H15N5O3S3/c20-30(26,27)15-7-5-13(6-8-15)24-17(18-4-2-10-29-18)11-16(23-24)19(25)22-21-12-14-3-1-9-28-14/h1-12H,(H,22,25)(H2,20,26,27)/b21-12-
InChIKeyVRCRDANSTSWHBQ-MTJSOVHGSA-N
XLogP3.07
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide (CID 164625812) is 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\c3cccs3)cc2-c2cccs2)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide?
The InChIKey is VRCRDANSTSWHBQ-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15N5O3S3/c20-30(26,27)15-7-5-13(6-8-15)24-17(18-4-2-10-29-18)11-16(23-24)19(25)22-21-12-14-3-1-9-28-14/h1-12H,(H,22,25)(H2,20,26,27)/b21-12-.
What are the key properties of 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide?
1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 164625812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).