N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide

C13H18N2O5S — CID 104764689

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
SMILESCOC1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CCOC1
InChIInChI=1S/C13H18N2O5S/c1-19-13(6-7-20-9-13)8-15-12(16)10-2-4-11(5-3-10)21(14,17)18/h2-5H,6-9H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPTDBTZFKDHXJDK-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.13
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide

N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide (PubChem CID 104764689) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
PubChem CID104764689
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
SMILESCOC1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CCOC1
InChIInChI=1S/C13H18N2O5S/c1-19-13(6-7-20-9-13)8-15-12(16)10-2-4-11(5-3-10)21(14,17)18/h2-5H,6-9H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPTDBTZFKDHXJDK-UHFFFAOYSA-N
XLogP-0.13
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 104765742
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(1-methylcyclopentyl)methyl]-4-sulfamoylbenzamide
CID 63821642
5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide
CID 104708936
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
N-[(1-methylcyclohexyl)methyl]-4-sulfamoylbenzamide
CID 103754265
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104761389
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide (CID 104764689) is N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide is COC1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide?
The InChIKey is PTDBTZFKDHXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-13(6-7-20-9-13)8-15-12(16)10-2-4-11(5-3-10)21(14,17)18/h2-5H,6-9H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide?
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide has a molecular weight of 314.36 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 104764689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).