N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

C23H25ClN4O3S — CID 55637344

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H25ClN4O3S/c24-18-8-4-9-19(14-18)32(30,31)26-13-12-23(29)27-21-10-5-11-22-20(21)15-25-28(22)16-17-6-2-1-3-7-17/h1-4,6-9,14-15,21,26H,5,10-13,16H2,(H,27,29)
InChIKeyPWPYYFMOQYSPIL-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.45
Rot. Bonds8

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (PubChem CID 55637344) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
PubChem CID55637344
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H25ClN4O3S/c24-18-8-4-9-19(14-18)32(30,31)26-13-12-23(29)27-21-10-5-11-22-20(21)15-25-28(22)16-17-6-2-1-3-7-17/h1-4,6-9,14-15,21,26H,5,10-13,16H2,(H,27,29)
InChIKeyPWPYYFMOQYSPIL-UHFFFAOYSA-N
XLogP3.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-3-phenylsulfanylpropanamide
CID 46402155
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(3,4-dimethylphenoxy)propanamide
CID 31901256
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
CID 167746657
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55622247
3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 110236779
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 167879462
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944281
N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
CID 46962535

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (CID 55637344) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is PWPYYFMOQYSPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c24-18-8-4-9-19(14-18)32(30,31)26-13-12-23(29)27-21-10-5-11-22-20(21)15-25-28(22)16-17-6-2-1-3-7-17/h1-4,6-9,14-15,21,26H,5,10-13,16H2,(H,27,29).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 473.00 g/mol, XLogP of 3.45, 8 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)-3-[(3-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55637344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).