4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide

C14H18N2O4S — CID 80611769

IUPAC4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)NC2CC3CCC2O3)cc1S(N)(=O)=O
InChIInChI=1S/C14H18N2O4S/c1-8-2-3-9(6-13(8)21(15,18)19)14(17)16-11-7-10-4-5-12(11)20-10/h2-3,6,10-12H,4-5,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWRXNIVQTFSNDJT-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.69
Rot. Bonds3

About 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide

4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide (PubChem CID 80611769) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide
PubChem CID80611769
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)NC2CC3CCC2O3)cc1S(N)(=O)=O
InChIInChI=1S/C14H18N2O4S/c1-8-2-3-9(6-13(8)21(15,18)19)14(17)16-11-7-10-4-5-12(11)20-10/h2-3,6,10-12H,4-5,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWRXNIVQTFSNDJT-UHFFFAOYSA-N
XLogP0.69
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113358348
3-hydroxy-4-iodo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113434890
3-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113256587
4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80719465
3,5-diamino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716270
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 126782233
N-(3,3-dimethylcyclopentyl)-4-methyl-3-sulfamoylbenzamide
CID 115880894
4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112702474
3-hydroxy-4-nitro-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 99833611
2-(ethylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-carboxamide
CID 80601928
N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99833542
5-amino-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715264

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide (CID 80611769) is 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide is Cc1ccc(C(=O)NC2CC3CCC2O3)cc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is WRXNIVQTFSNDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-8-2-3-9(6-13(8)21(15,18)19)14(17)16-11-7-10-4-5-12(11)20-10/h2-3,6,10-12H,4-5,7H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide?
4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 310.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 80611769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).