8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C25H27N5O4S — CID 10163636

IUPAC8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NC(=O)C3CCCCC3)cc1-2
InChIInChI=1S/C25H27N5O4S/c26-24(31)22-20-13-7-15-6-8-17(28-25(32)16-4-2-1-3-5-16)14-21(15)23(20)30(29-22)18-9-11-19(12-10-18)35(27,33)34/h6,8-12,14,16H,1-5,7,13H2,(H2,26,31)(H,28,32)(H2,27,33,34)
InChIKeyNWRHDFNDODNDNO-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.90
Rot. Bonds5

About 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10163636) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10163636
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NC(=O)C3CCCCC3)cc1-2
InChIInChI=1S/C25H27N5O4S/c26-24(31)22-20-13-7-15-6-8-17(28-25(32)16-4-2-1-3-5-16)14-21(15)23(20)30(29-22)18-9-11-19(12-10-18)35(27,33)34/h6,8-12,14,16H,1-5,7,13H2,(H2,26,31)(H,28,32)(H2,27,33,34)
InChIKeyNWRHDFNDODNDNO-UHFFFAOYSA-N
XLogP2.90
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10163636) is 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NC(=O)C3CCCCC3)cc1-2.
What is the InChIKey of 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is NWRHDFNDODNDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c26-24(31)22-20-13-7-15-6-8-17(28-25(32)16-4-2-1-3-5-16)14-21(15)23(20)30(29-22)18-9-11-19(12-10-18)35(27,33)34/h6,8-12,14,16H,1-5,7,13H2,(H2,26,31)(H,28,32)(H2,27,33,34).
What are the key properties of 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10163636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).