N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

C23H26N4O3S — CID 134031360

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccnn3C(C)C3CC3)c2)c1
InChIInChI=1S/C23H26N4O3S/c1-15-5-4-6-19(13-15)26-31(29,30)20-10-7-16(2)21(14-20)23(28)25-22-11-12-24-27(22)17(3)18-8-9-18/h4-7,10-14,17-18,26H,8-9H2,1-3H3,(H,25,28)
InChIKeyFTOADIFHHFCDCW-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.52
Rot. Bonds7

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 134031360) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID134031360
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccnn3C(C)C3CC3)c2)c1
InChIInChI=1S/C23H26N4O3S/c1-15-5-4-6-19(13-15)26-31(29,30)20-10-7-16(2)21(14-20)23(28)25-22-11-12-24-27(22)17(3)18-8-9-18/h4-7,10-14,17-18,26H,8-9H2,1-3H3,(H,25,28)
InChIKeyFTOADIFHHFCDCW-UHFFFAOYSA-N
XLogP4.52
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
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5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
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2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
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2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
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2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 134031360) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccnn3C(C)C3CC3)c2)c1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is FTOADIFHHFCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-5-4-6-19(13-15)26-31(29,30)20-10-7-16(2)21(14-20)23(28)25-22-11-12-24-27(22)17(3)18-8-9-18/h4-7,10-14,17-18,26H,8-9H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 134031360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).