3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C88H73N21O8S — CID 158945042

About 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 158945042) has the molecular formula C88H73N21O8S and a molecular weight of 1584.76 g/mol. Its IUPAC name is 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
• PubChem CID: 158945042
• Molecular Formula: C88H73N21O8S
• Molecular Weight: 1584.76 g/mol
• Exact Mass: 1583.57
• IUPAC Name: 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
• SMILES: COc1ccc(NC(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1.Cc1ccc(NC(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NS(=O)(=O)Cc4ccccc4)c3)c2c1.c1cc2[nH]nc(-c3ccc4c(c3)OCCO4)c2cc1-c1n[nH]c(CC2CC2)n1
• InChI: InChI=1S/C23H18N6O2.C23H18N6O.C21H19N5O2.C21H18N4O3S/c1-31-18-8-6-17(7-9-18)26-23(30)16-4-2-3-14(11-16)21-19-12-15(22-24-13-25-29-22)5-10-20(19)27-28-21;1-14-5-8-18(9-6-14)26-23(30)17-4-2-3-15(11-17)21-19-12-16(22-24-13-25-29-22)7-10-20(19)27-28-21;1-2-12(1)9-19-22-21(26-24-19)14-3-5-16-15(10-14)20(25-23-16)13-4-6-17-18(11-13)28-8-7-27-17;22-21(26)16-9-10-19-18(12-16)20(24-23-19)15-7-4-8-17(11-15)25-29(27,28)13-14-5-2-1-3-6-14/h2-13H,1H3,(H,26,30)(H,27,28)(H,24,25,29);2-13H,1H3,(H,26,30)(H,27,28)(H,24,25,29);3-6,10-12H,1-2,7-9H2,(H,23,25)(H,22,24,26);1-12,25H,13H2,(H2,22,26)(H,23,24)
• InChIKey: JKSGVCCPSHTCHK-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 414.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.76
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

The IUPAC name of 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 158945042) is 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

What is the SMILES notation for 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

The canonical SMILES for 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is COc1ccc(NC(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1.Cc1ccc(NC(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NS(=O)(=O)Cc4ccccc4)c3)c2c1.c1cc2[nH]nc(-c3ccc4c(c3)OCCO4)c2cc1-c1n[nH]c(CC2CC2)n1.

What is the InChIKey of 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

The InChIKey is JKSGVCCPSHTCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2.C23H18N6O.C21H19N5O2.C21H18N4O3S/c1-31-18-8-6-17(7-9-18)26-23(30)16-4-2-3-14(11-16)21-19-12-15(22-24-13-25-29-22)5-10-20(19)27-28-21;1-14-5-8-18(9-6-14)26-23(30)17-4-2-3-15(11-17)21-19-12-16(22-24-13-25-29-22)7-10-20(19)27-28-21;1-2-12(1)9-19-22-21(26-24-19)14-3-5-16-15(10-14)20(25-23-16)13-4-6-17-18(11-13)28-8-7-27-17;22-21(26)16-9-10-19-18(12-16)20(24-23-19)15-7-4-8-17(11-15)25-29(27,28)13-14-5-2-1-3-6-14/h2-13H,1H3,(H,26,30)(H,27,28)(H,24,25,29);2-13H,1H3,(H,26,30)(H,27,28)(H,24,25,29);3-6,10-12H,1-2,7-9H2,(H,23,25)(H,22,24,26);1-12,25H,13H2,(H2,22,26)(H,23,24).

What are the key properties of 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?

3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 1584.76 g/mol, XLogP of 15.86, 19 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(benzylsulfonylamino)phenyl]-1H-indazole-5-carboxamide;5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole;N-(4-methoxyphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-methylphenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 158945042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).