N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide

C13H18N2O4S — CID 113093430

IUPACN-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCOCC1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)15-12-5-3-2-4-11(12)14-13(16)10-6-8-19-9-7-10/h2-5,10,15H,6-9H2,1H3,(H,14,16)
InChIKeyHDCMGUVGCZONPR-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.42
Rot. Bonds4

About N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide

N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide (PubChem CID 113093430) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
PubChem CID113093430
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCOCC1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)15-12-5-3-2-4-11(12)14-13(16)10-6-8-19-9-7-10/h2-5,10,15H,6-9H2,1H3,(H,14,16)
InChIKeyHDCMGUVGCZONPR-UHFFFAOYSA-N
XLogP1.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide (CID 113093430) is N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide is CS(=O)(=O)Nc1ccccc1NC(=O)C1CCOCC1.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide?
The InChIKey is HDCMGUVGCZONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(17,18)15-12-5-3-2-4-11(12)14-13(16)10-6-8-19-9-7-10/h2-5,10,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide?
N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 113093430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).