N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide

C13H15N5O4S — CID 146152519

IUPACN'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide
SMILESCc1cnn(C)c1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N5O4S/c1-8-7-15-18(2)11(8)17-13(20)12(19)16-9-3-5-10(6-4-9)23(14,21)22/h3-7H,1-2H3,(H,16,19)(H,17,20)(H2,14,21,22)
InChIKeyPKYJZQSGYORRHT-UHFFFAOYSA-N
MW337.36 g/mol
LogP-0.05
Rot. Bonds3

About N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide

N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide (PubChem CID 146152519) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide
PubChem CID146152519
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC NameN'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide
SMILESCc1cnn(C)c1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N5O4S/c1-8-7-15-18(2)11(8)17-13(20)12(19)16-9-3-5-10(6-4-9)23(14,21)22/h3-7H,1-2H3,(H,16,19)(H,17,20)(H2,14,21,22)
InChIKeyPKYJZQSGYORRHT-UHFFFAOYSA-N
XLogP-0.05
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857
N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508730
4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 3604338
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N'-(4-bromo-3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520369
(E)-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 69206042
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846

Frequently Asked Questions

What is the IUPAC name of N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide (CID 146152519) is N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide is Cc1cnn(C)c1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is PKYJZQSGYORRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c1-8-7-15-18(2)11(8)17-13(20)12(19)16-9-3-5-10(6-4-9)23(14,21)22/h3-7H,1-2H3,(H,16,19)(H,17,20)(H2,14,21,22).
What are the key properties of N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide?
N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 337.36 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 146152519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).