1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea

C20H17N5O3S — CID 67453293

IUPAC1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Nc4ccccc4)cc23)c1
InChIInChI=1S/C20H17N5O3S/c21-29(27,28)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)24-25-19)23-20(26)22-14-6-2-1-3-7-14/h1-12H,(H,24,25)(H2,21,27,28)(H2,22,23,26)
InChIKeyUGCZNDYBDIDDPO-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.52
Rot. Bonds4

About 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea

1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea (PubChem CID 67453293) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
PubChem CID67453293
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Nc4ccccc4)cc23)c1
InChIInChI=1S/C20H17N5O3S/c21-29(27,28)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)24-25-19)23-20(26)22-14-6-2-1-3-7-14/h1-12H,(H,24,25)(H2,21,27,28)(H2,22,23,26)
InChIKeyUGCZNDYBDIDDPO-UHFFFAOYSA-N
XLogP3.52
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
The IUPAC name of 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea (CID 67453293) is 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
The canonical SMILES for 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Nc4ccccc4)cc23)c1.
What is the InChIKey of 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
The InChIKey is UGCZNDYBDIDDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c21-29(27,28)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)24-25-19)23-20(26)22-14-6-2-1-3-7-14/h1-12H,(H,24,25)(H2,21,27,28)(H2,22,23,26).
What are the key properties of 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea has a molecular weight of 407.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea is sourced from PubChem (CID 67453293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).