N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide

C12H15FN2O4S — CID 113093316

IUPACN-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(F)cc1NC(=O)C1CCCO1
InChIInChI=1S/C12H15FN2O4S/c1-20(17,18)15-9-5-4-8(13)7-10(9)14-12(16)11-3-2-6-19-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyGIDYTHUYVGHYGR-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.31
Rot. Bonds4

About N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide

N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide (PubChem CID 113093316) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
PubChem CID113093316
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC NameN-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(F)cc1NC(=O)C1CCCO1
InChIInChI=1S/C12H15FN2O4S/c1-20(17,18)15-9-5-4-8(13)7-10(9)14-12(16)11-3-2-6-19-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyGIDYTHUYVGHYGR-UHFFFAOYSA-N
XLogP1.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
(2S)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 95233016
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977385
methyl 3-methylsulfonyl-4-(oxolane-2-carbonylamino)benzoate
CID 126831985
N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
CID 113093309
N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
CID 119802655
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119775820

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide (CID 113093316) is N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide is CS(=O)(=O)Nc1ccc(F)cc1NC(=O)C1CCCO1.
What is the InChIKey of N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide?
The InChIKey is GIDYTHUYVGHYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-20(17,18)15-9-5-4-8(13)7-10(9)14-12(16)11-3-2-6-19-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,14,16).
What are the key properties of N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide?
N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 113093316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).