N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide

C24H22N4O3S — CID 67455273

IUPACN-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CC4)cc23)c1
InChIInChI=1S/C24H22N4O3S/c25-32(30,31)19-8-4-7-17(13-19)23-20-14-18(11-12-21(20)27-28-23)24(29)26-22(16-9-10-16)15-5-2-1-3-6-15/h1-8,11-14,16,22H,9-10H2,(H,26,29)(H,27,28)(H2,25,30,31)
InChIKeyQCLYLXUASIKTNV-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.76
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide

N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (PubChem CID 67455273) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
PubChem CID67455273
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CC4)cc23)c1
InChIInChI=1S/C24H22N4O3S/c25-32(30,31)19-8-4-7-17(13-19)23-20-14-18(11-12-21(20)27-28-23)24(29)26-22(16-9-10-16)15-5-2-1-3-6-15/h1-8,11-14,16,22H,9-10H2,(H,26,29)(H,27,28)(H2,25,30,31)
InChIKeyQCLYLXUASIKTNV-UHFFFAOYSA-N
XLogP3.76
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (CID 67455273) is N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CC4)cc23)c1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is QCLYLXUASIKTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c25-32(30,31)19-8-4-7-17(13-19)23-20-14-18(11-12-21(20)27-28-23)24(29)26-22(16-9-10-16)15-5-2-1-3-6-15/h1-8,11-14,16,22H,9-10H2,(H,26,29)(H,27,28)(H2,25,30,31).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67455273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).