3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide

C18H18N4O3S — CID 17424041

IUPAC3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C18H18N4O3S/c1-22-11-10-17(21-22)20-18(23)15-8-5-9-16(12-15)26(24,25)19-13-14-6-3-2-4-7-14/h2-12,19H,13H2,1H3,(H,20,21,23)
InChIKeyQRJGEEMUVBRPEC-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.15
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide

3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 17424041) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID17424041
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C18H18N4O3S/c1-22-11-10-17(21-22)20-18(23)15-8-5-9-16(12-15)26(24,25)19-13-14-6-3-2-4-7-14/h2-12,19H,13H2,1H3,(H,20,21,23)
InChIKeyQRJGEEMUVBRPEC-UHFFFAOYSA-N
XLogP2.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 55498792
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
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3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 7414536
3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 60588277
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide (CID 17424041) is 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is QRJGEEMUVBRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22-11-10-17(21-22)20-18(23)15-8-5-9-16(12-15)26(24,25)19-13-14-6-3-2-4-7-14/h2-12,19H,13H2,1H3,(H,20,21,23).
What are the key properties of 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 370.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 17424041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).