N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide

C24H26N4O3S — CID 167879462

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C24H26N4O3S/c29-24(18-9-13-20(14-10-18)32(30,31)27-19-11-12-19)26-22-7-4-8-23-21(22)15-25-28(23)16-17-5-2-1-3-6-17/h1-3,5-6,9-10,13-15,19,22,27H,4,7-8,11-12,16H2,(H,26,29)
InChIKeyPOBFJYMZMJSPHX-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.18
Rot. Bonds7

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 167879462) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide
PubChem CID167879462
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C24H26N4O3S/c29-24(18-9-13-20(14-10-18)32(30,31)27-19-11-12-19)26-22-7-4-8-23-21(22)15-25-28(23)16-17-5-2-1-3-6-17/h1-3,5-6,9-10,13-15,19,22,27H,4,7-8,11-12,16H2,(H,26,29)
InChIKeyPOBFJYMZMJSPHX-UHFFFAOYSA-N
XLogP3.18
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-nitrobenzamide
CID 51939030
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46424726
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46402081
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 46424971
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-[(4S)-1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-4-carboxamide
CID 95856441
2-(benzenesulfonamido)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methylsulfanylbutanamide
CID 55622516
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55622374

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide (CID 167879462) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide is O=C(NC1CCCc2c1cnn2Cc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is POBFJYMZMJSPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-24(18-9-13-20(14-10-18)32(30,31)27-19-11-12-19)26-22-7-4-8-23-21(22)15-25-28(23)16-17-5-2-1-3-6-17/h1-3,5-6,9-10,13-15,19,22,27H,4,7-8,11-12,16H2,(H,26,29).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 167879462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).