N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H20N4O4S — CID 2354077

IUPACN-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13-12-14(2)24(22-13)18-8-4-16(5-9-18)20(26)21-17-6-10-19(11-7-17)29(27,28)23-15(3)25/h4-12H,1-3H3,(H,21,26)(H,23,25)
InChIKeyGSCIYKBLCRRSET-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.57
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2354077) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2354077
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13-12-14(2)24(22-13)18-8-4-16(5-9-18)20(26)21-17-6-10-19(11-7-17)29(27,28)23-15(3)25/h4-12H,1-3H3,(H,21,26)(H,23,25)
InChIKeyGSCIYKBLCRRSET-UHFFFAOYSA-N
XLogP2.57
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2354077) is N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is GSCIYKBLCRRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13-12-14(2)24(22-13)18-8-4-16(5-9-18)20(26)21-17-6-10-19(11-7-17)29(27,28)23-15(3)25/h4-12H,1-3H3,(H,21,26)(H,23,25).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2354077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).