formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide

C18H24N4O6S — CID 163340405

IUPACformic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide
SMILESO=C(NCC1CCOC1)c1cccc(S(=O)(=O)NCCn2cccn2)c1.O=CO
InChIInChI=1S/C17H22N4O4S.CH2O2/c22-17(18-12-14-5-10-25-13-14)15-3-1-4-16(11-15)26(23,24)20-7-9-21-8-2-6-19-21;2-1-3/h1-4,6,8,11,14,20H,5,7,9-10,12-13H2,(H,18,22);1H,(H,2,3)
InChIKeyHNDAPYMOBFOHJQ-UHFFFAOYSA-N
MW424.48 g/mol
LogP0.33
Rot. Bonds8

About formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide

formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide (PubChem CID 163340405) has the molecular formula C18H24N4O6S and a molecular weight of 424.48 g/mol. Its IUPAC name is formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound Nameformic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide
PubChem CID163340405
Molecular FormulaC18H24N4O6S
Molecular Weight424.48 g/mol
Exact Mass424.14
IUPAC Nameformic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide
SMILESO=C(NCC1CCOC1)c1cccc(S(=O)(=O)NCCn2cccn2)c1.O=CO
InChIInChI=1S/C17H22N4O4S.CH2O2/c22-17(18-12-14-5-10-25-13-14)15-3-1-4-16(11-15)26(23,24)20-7-9-21-8-2-6-19-21;2-1-3/h1-4,6,8,11,14,20H,5,7,9-10,12-13H2,(H,18,22);1H,(H,2,3)
InChIKeyHNDAPYMOBFOHJQ-UHFFFAOYSA-N
XLogP0.33
TPSA139.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 97192159
3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 99941962
3-(oxolan-3-ylmethylsulfamoyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 77091188
N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
CID 74241225
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 99927465
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide
CID 74242784

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide?
The IUPAC name of formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide (CID 163340405) is formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide.
What is the SMILES notation for formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide?
The canonical SMILES for formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide is O=C(NCC1CCOC1)c1cccc(S(=O)(=O)NCCn2cccn2)c1.O=CO.
What is the InChIKey of formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide?
The InChIKey is HNDAPYMOBFOHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S.CH2O2/c22-17(18-12-14-5-10-25-13-14)15-3-1-4-16(11-15)26(23,24)20-7-9-21-8-2-6-19-21;2-1-3/h1-4,6,8,11,14,20H,5,7,9-10,12-13H2,(H,18,22);1H,(H,2,3).
What are the key properties of formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide?
formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide has a molecular weight of 424.48 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 163340405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).