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

C27H28N4O3S — CID 67456716

IUPACN-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CCCCC4)cc23)c1
InChIInChI=1S/C27H28N4O3S/c28-35(33,34)22-13-7-12-20(16-22)26-23-17-21(14-15-24(23)30-31-26)27(32)29-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1,3-4,7-9,12-17,19,25H,2,5-6,10-11H2,(H,29,32)(H,30,31)(H2,28,33,34)
InChIKeyAMBHMKBAQYCDDP-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.93
Rot. Bonds6

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

N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (PubChem CID 67456716) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
PubChem CID67456716
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CCCCC4)cc23)c1
InChIInChI=1S/C27H28N4O3S/c28-35(33,34)22-13-7-12-20(16-22)26-23-17-21(14-15-24(23)30-31-26)27(32)29-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1,3-4,7-9,12-17,19,25H,2,5-6,10-11H2,(H,29,32)(H,30,31)(H2,28,33,34)
InChIKeyAMBHMKBAQYCDDP-UHFFFAOYSA-N
XLogP4.93
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (CID 67456716) is N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CCCCC4)cc23)c1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is AMBHMKBAQYCDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c28-35(33,34)22-13-7-12-20(16-22)26-23-17-21(14-15-24(23)30-31-26)27(32)29-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1,3-4,7-9,12-17,19,25H,2,5-6,10-11H2,(H,29,32)(H,30,31)(H2,28,33,34).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67456716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).