1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide

C23H20N4O3S — CID 67456579

IUPAC1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)c1
InChIInChI=1S/C23H20N4O3S/c24-31(29,30)18-8-4-5-15(13-18)21-19-14-17(9-10-20(19)26-27-21)25-22(28)23(11-12-23)16-6-2-1-3-7-16/h1-10,13-14H,11-12H2,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyNYBYFPMEAPNASU-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.55
Rot. Bonds5

About 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide

1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide (PubChem CID 67456579) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
PubChem CID67456579
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)c1
InChIInChI=1S/C23H20N4O3S/c24-31(29,30)18-8-4-5-15(13-18)21-19-14-17(9-10-20(19)26-27-21)25-22(28)23(11-12-23)16-6-2-1-3-7-16/h1-10,13-14H,11-12H2,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyNYBYFPMEAPNASU-UHFFFAOYSA-N
XLogP3.55
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide (CID 67456579) is 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)c1.
What is the InChIKey of 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is NYBYFPMEAPNASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c24-31(29,30)18-8-4-5-15(13-18)21-19-14-17(9-10-20(19)26-27-21)25-22(28)23(11-12-23)16-6-2-1-3-7-16/h1-10,13-14H,11-12H2,(H,25,28)(H,26,27)(H2,24,29,30).
What are the key properties of 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67456579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).