3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

C24H25ClN4O3S — CID 55601956

IUPAC3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2CCCc3c2cnn3C)c1
InChIInChI=1S/C24H25ClN4O3S/c1-3-14-29(23-12-5-4-10-20(23)25)33(31,32)18-9-6-8-17(15-18)24(30)27-21-11-7-13-22-19(21)16-26-28(22)2/h3-6,8-10,12,15-16,21H,1,7,11,13-14H2,2H3,(H,27,30)
InChIKeyQTOMKHALFVHMMG-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.26
Rot. Bonds7

About 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (PubChem CID 55601956) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
PubChem CID55601956
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2CCCc3c2cnn3C)c1
InChIInChI=1S/C24H25ClN4O3S/c1-3-14-29(23-12-5-4-10-20(23)25)33(31,32)18-9-6-8-17(15-18)24(30)27-21-11-7-13-22-19(21)16-26-28(22)2/h3-6,8-10,12,15-16,21H,1,7,11,13-14H2,2H3,(H,27,30)
InChIKeyQTOMKHALFVHMMG-UHFFFAOYSA-N
XLogP4.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 30131964
N-(2-chlorophenyl)-3-(3-methylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 86878865
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
CID 112761323
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 43002903
N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide
CID 55781310
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94145039
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 2496817
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55561000
6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 62233294
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 71910625

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (CID 55601956) is 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2CCCc3c2cnn3C)c1.
What is the InChIKey of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The InChIKey is QTOMKHALFVHMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-3-14-29(23-12-5-4-10-20(23)25)33(31,32)18-9-6-8-17(15-18)24(30)27-21-11-7-13-22-19(21)16-26-28(22)2/h3-6,8-10,12,15-16,21H,1,7,11,13-14H2,2H3,(H,27,30).
What are the key properties of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide has a molecular weight of 485.01 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is sourced from PubChem (CID 55601956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).