3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide

C21H25ClN4O3S — CID 91954178

IUPAC3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3c(Cl)cccc32)c1
InChIInChI=1S/C21H25ClN4O3S/c1-15(2)12-24-30(28,29)14-16-5-3-6-17(11-16)25-21(27)9-10-26-20-8-4-7-19(22)18(20)13-23-26/h3-8,11,13,15,24H,9-10,12,14H2,1-2H3,(H,25,27)
InChIKeyZVZZGFPQJUXLMU-UHFFFAOYSA-N
MW448.98 g/mol
LogP3.79
Rot. Bonds9

About 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide

3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide (PubChem CID 91954178) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide
PubChem CID91954178
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC Name3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3c(Cl)cccc32)c1
InChIInChI=1S/C21H25ClN4O3S/c1-15(2)12-24-30(28,29)14-16-5-3-6-17(11-16)25-21(27)9-10-26-20-8-4-7-19(22)18(20)13-23-26/h3-8,11,13,15,24H,9-10,12,14H2,1-2H3,(H,25,27)
InChIKeyZVZZGFPQJUXLMU-UHFFFAOYSA-N
XLogP3.79
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide
CID 91954228
4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide
CID 171138774
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91954160
5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 91954163
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide
CID 75538343
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 56686289
5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954202
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide?
The IUPAC name of 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide (CID 91954178) is 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide is CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3c(Cl)cccc32)c1.
What is the InChIKey of 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide?
The InChIKey is ZVZZGFPQJUXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c1-15(2)12-24-30(28,29)14-16-5-3-6-17(11-16)25-21(27)9-10-26-20-8-4-7-19(22)18(20)13-23-26/h3-8,11,13,15,24H,9-10,12,14H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide?
3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide has a molecular weight of 448.98 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide is sourced from PubChem (CID 91954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).