N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide

C12H16N2O4S — CID 43133994

IUPACN-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-8-7-9(4-5-11(8)19(13,16)17)14-12(15)10-3-2-6-18-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyDGPQCWAQSZJXDS-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.76
Rot. Bonds3

About N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide

N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide (PubChem CID 43133994) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
PubChem CID43133994
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-8-7-9(4-5-11(8)19(13,16)17)14-12(15)10-3-2-6-18-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyDGPQCWAQSZJXDS-UHFFFAOYSA-N
XLogP0.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62805272
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 7979090
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide (CID 43133994) is N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide is Cc1cc(NC(=O)C2CCCO2)ccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide?
The InChIKey is DGPQCWAQSZJXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-7-9(4-5-11(8)19(13,16)17)14-12(15)10-3-2-6-18-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide?
N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 43133994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).