N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide

C13H17NO5S — CID 71935616

IUPACN-(3-methoxyphenyl)sulfonyloxane-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)C2CCOCC2)c1
InChIInChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(9-11)20(16,17)14-13(15)10-5-7-19-8-6-10/h2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyPVKYMCKPQUOSNL-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.93
Rot. Bonds4

About N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide

N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide (PubChem CID 71935616) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)sulfonyloxane-4-carboxamide
PubChem CID71935616
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC NameN-(3-methoxyphenyl)sulfonyloxane-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)C2CCOCC2)c1
InChIInChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(9-11)20(16,17)14-13(15)10-5-7-19-8-6-10/h2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyPVKYMCKPQUOSNL-UHFFFAOYSA-N
XLogP0.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 71810300
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CID 56827654
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
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methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
3-ethylsulfanyl-N-(3-methoxyphenyl)sulfonylpropanamide
CID 47480123
N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide
CID 47480088
(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide
CID 95276135
(3-methylsulfonylphenyl)-(oxan-4-yl)methanone
CID 114971826
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 90499355
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide (CID 71935616) is N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide is COc1cccc(S(=O)(=O)NC(=O)C2CCOCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide?
The InChIKey is PVKYMCKPQUOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-11-3-2-4-12(9-11)20(16,17)14-13(15)10-5-7-19-8-6-10/h2-4,9-10H,5-8H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide?
N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)sulfonyloxane-4-carboxamide is sourced from PubChem (CID 71935616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).