N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide

C13H16ClNO4S — CID 102555038

IUPACN-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1Cl)C1CCCOC1
InChIInChI=1S/C13H16ClNO4S/c14-12-6-2-1-4-11(12)9-20(17,18)15-13(16)10-5-3-7-19-8-10/h1-2,4,6,10H,3,5,7-9H2,(H,15,16)
InChIKeyBTQJBVLIJXFFSZ-UHFFFAOYSA-N
MW317.79 g/mol
LogP1.71
Rot. Bonds4

About N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide

N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide (PubChem CID 102555038) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide
PubChem CID102555038
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC NameN-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1Cl)C1CCCOC1
InChIInChI=1S/C13H16ClNO4S/c14-12-6-2-1-4-11(12)9-20(17,18)15-13(16)10-5-3-7-19-8-10/h1-2,4,6,10H,3,5,7-9H2,(H,15,16)
InChIKeyBTQJBVLIJXFFSZ-UHFFFAOYSA-N
XLogP1.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide
CID 71859596
oxan-3-yl(phenyl)methanone
CID 63011351
2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
CID 65332498
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
4-[2-(oxane-3-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63011176
(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid
CID 103804303
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide (CID 102555038) is N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide is O=C(NS(=O)(=O)Cc1ccccc1Cl)C1CCCOC1.
What is the InChIKey of N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide?
The InChIKey is BTQJBVLIJXFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-12-6-2-1-4-11(12)9-20(17,18)15-13(16)10-5-3-7-19-8-10/h1-2,4,6,10H,3,5,7-9H2,(H,15,16).
What are the key properties of N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide?
N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide has a molecular weight of 317.79 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide is sourced from PubChem (CID 102555038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).