6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide

C23H21N5O3S — CID 10195091

IUPAC6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1c-2ccn1Cc1ccccc1
InChIInChI=1S/C23H21N5O3S/c24-23(29)21-19-10-11-20-18(12-13-27(20)14-15-4-2-1-3-5-15)22(19)28(26-21)16-6-8-17(9-7-16)32(25,30)31/h1-9,12-13H,10-11,14H2,(H2,24,29)(H2,25,30,31)
InChIKeyKUZWYZMVHNAUPT-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.23
Rot. Bonds5

About 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide

6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide (PubChem CID 10195091) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide
PubChem CID10195091
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1c-2ccn1Cc1ccccc1
InChIInChI=1S/C23H21N5O3S/c24-23(29)21-19-10-11-20-18(12-13-27(20)14-15-4-2-1-3-5-15)22(19)28(26-21)16-6-8-17(9-7-16)32(25,30)31/h1-9,12-13H,10-11,14H2,(H2,24,29)(H2,25,30,31)
InChIKeyKUZWYZMVHNAUPT-UHFFFAOYSA-N
XLogP2.23
TPSA126.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide?
The IUPAC name of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide (CID 10195091) is 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide?
The canonical SMILES for 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1c-2ccn1Cc1ccccc1.
What is the InChIKey of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide?
The InChIKey is KUZWYZMVHNAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c24-23(29)21-19-10-11-20-18(12-13-27(20)14-15-4-2-1-3-5-15)22(19)28(26-21)16-6-8-17(9-7-16)32(25,30)31/h1-9,12-13H,10-11,14H2,(H2,24,29)(H2,25,30,31).
What are the key properties of 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide?
6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(4-sulfamoylphenyl)-4,5-dihydropyrrolo[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 10195091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).