4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide

C11H14N2O4S — CID 135183680

IUPAC4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-12-8-2-4-9(5-3-8)18(15,16)13-10-6-7-17-11(10)14/h2-5,10,12-13H,6-7H2,1H3
InChIKeyOCKCPLTXMIEJRL-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.32
Rot. Bonds4

About 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide

4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide (PubChem CID 135183680) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
PubChem CID135183680
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-12-8-2-4-9(5-3-8)18(15,16)13-10-6-7-17-11(10)14/h2-5,10,12-13H,6-7H2,1H3
InChIKeyOCKCPLTXMIEJRL-UHFFFAOYSA-N
XLogP0.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 43822806
4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 129065761
N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]heptanamide
CID 78318340
5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 126756539
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318533
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide
CID 126737148
1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
CID 51066200
2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
CID 135149146
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide (CID 135183680) is 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide is CNc1ccc(S(=O)(=O)NC2CCOC2=O)cc1.
What is the InChIKey of 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The InChIKey is OCKCPLTXMIEJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-12-8-2-4-9(5-3-8)18(15,16)13-10-6-7-17-11(10)14/h2-5,10,12-13H,6-7H2,1H3.
What are the key properties of 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide?
4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 135183680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).