N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide

C17H16N4O3S — CID 35799986

IUPACN-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H16N4O3S/c1-21-12-11-16(19-21)18-17(22)13-7-9-15(10-8-13)25(23,24)20-14-5-3-2-4-6-14/h2-12,20H,1H3,(H,18,19,22)
InChIKeyNERVNWMIJHUYBQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.47
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide

N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide (PubChem CID 35799986) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
PubChem CID35799986
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H16N4O3S/c1-21-12-11-16(19-21)18-17(22)13-7-9-15(10-8-13)25(23,24)20-14-5-3-2-4-6-14/h2-12,20H,1H3,(H,18,19,22)
InChIKeyNERVNWMIJHUYBQ-UHFFFAOYSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 17480120
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537355
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 37242332
4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536361
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55566549
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536362
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
4-(phenylsulfamoyl)benzoate
CID 6997297

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide (CID 35799986) is N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide is Cn1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is NERVNWMIJHUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-21-12-11-16(19-21)18-17(22)13-7-9-15(10-8-13)25(23,24)20-14-5-3-2-4-6-14/h2-12,20H,1H3,(H,18,19,22).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide?
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 35799986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).