4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide

C17H22N4O4S — CID 71808505

IUPAC4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2nn(C)c3c2COCC3)cc1
InChIInChI=1S/C17H22N4O4S/c1-20(2)26(23,24)13-6-4-12(5-7-13)17(22)18-10-15-14-11-25-9-8-16(14)21(3)19-15/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyIJNCRJBSVHZNAY-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.67
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide (PubChem CID 71808505) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
PubChem CID71808505
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2nn(C)c3c2COCC3)cc1
InChIInChI=1S/C17H22N4O4S/c1-20(2)26(23,24)13-6-4-12(5-7-13)17(22)18-10-15-14-11-25-9-8-16(14)21(3)19-15/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyIJNCRJBSVHZNAY-UHFFFAOYSA-N
XLogP0.67
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide (CID 71808505) is 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nn(C)c3c2COCC3)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The InChIKey is IJNCRJBSVHZNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-20(2)26(23,24)13-6-4-12(5-7-13)17(22)18-10-15-14-11-25-9-8-16(14)21(3)19-15/h4-7H,8-11H2,1-3H3,(H,18,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71808505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).