N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide

C14H18N4O3S — CID 47038582

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)n[nH]1
InChIInChI=1S/C14H18N4O3S/c1-9(2)18-22(20,21)12-6-4-11(5-7-12)14(19)15-13-8-10(3)16-17-13/h4-9,18H,1-3H3,(H2,15,16,17,19)
InChIKeyFQGJKANZQUMVJD-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.66
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide

N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 47038582) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID47038582
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)n[nH]1
InChIInChI=1S/C14H18N4O3S/c1-9(2)18-22(20,21)12-6-4-11(5-7-12)14(19)15-13-8-10(3)16-17-13/h4-9,18H,1-3H3,(H2,15,16,17,19)
InChIKeyFQGJKANZQUMVJD-UHFFFAOYSA-N
XLogP1.66
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518994
4-[(4-fluorophenyl)sulfamoyl]-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 166179203
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134025456
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide (CID 47038582) is N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FQGJKANZQUMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(2)18-22(20,21)12-6-4-11(5-7-12)14(19)15-13-8-10(3)16-17-13/h4-9,18H,1-3H3,(H2,15,16,17,19).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 322.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 47038582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).