4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide

C19H20N4O4S — CID 55471494

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C19H20N4O4S/c1-12-10-13(2)23(22-12)15-6-4-14(5-7-15)19(24)21-17-11-16(28(20,25)26)8-9-18(17)27-3/h4-11H,1-3H3,(H,21,24)(H2,20,25,26)
InChIKeyNWKILJANBMFECX-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.40
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide (PubChem CID 55471494) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
PubChem CID55471494
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C19H20N4O4S/c1-12-10-13(2)23(22-12)15-6-4-14(5-7-15)19(24)21-17-11-16(28(20,25)26)8-9-18(17)27-3/h4-11H,1-3H3,(H,21,24)(H2,20,25,26)
InChIKeyNWKILJANBMFECX-UHFFFAOYSA-N
XLogP2.40
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 26877253
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
N-(2-methoxy-5-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742519
N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 75394297
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 100585854
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide
CID 75404736
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55910672
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide (CID 55471494) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide?
The InChIKey is NWKILJANBMFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-10-13(2)23(22-12)15-6-4-14(5-7-15)19(24)21-17-11-16(28(20,25)26)8-9-18(17)27-3/h4-11H,1-3H3,(H,21,24)(H2,20,25,26).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide is sourced from PubChem (CID 55471494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).