2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide

C13H18N2O4S — CID 2987091

IUPAC2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(N)=O
InChIInChI=1S/C13H18N2O4S/c1-9-4-5-11(7-12(9)13(14)16)20(17,18)15-8-10-3-2-6-19-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyPNOMMPMPIFTUMS-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.55
Rot. Bonds5

About 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide

2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 2987091) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID2987091
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(N)=O
InChIInChI=1S/C13H18N2O4S/c1-9-4-5-11(7-12(9)13(14)16)20(17,18)15-8-10-3-2-6-19-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyPNOMMPMPIFTUMS-UHFFFAOYSA-N
XLogP0.55
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide 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

2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
N,2-dimethyl-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 7477477
2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
CID 102551738
2-(ethylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988830
2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133167657
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-methyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 7427449
2-(tert-butylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985396
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983105
2-[[(2S)-butan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 2987091) is 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide is Cc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is PNOMMPMPIFTUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-4-5-11(7-12(9)13(14)16)20(17,18)15-8-10-3-2-6-19-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,14,16).
What are the key properties of 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide?
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 298.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 2987091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).