4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide

C12H17N3O4S — CID 115294474

IUPAC4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccccc2S(N)(=O)=O)CCOCC1
InChIInChI=1S/C12H17N3O4S/c13-12(5-7-19-8-6-12)11(16)15-9-3-1-2-4-10(9)20(14,17)18/h1-4H,5-8,13H2,(H,15,16)(H2,14,17,18)
InChIKeyRKODMGRHHQYPKS-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.22
Rot. Bonds3

About 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide

4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide (PubChem CID 115294474) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
PubChem CID115294474
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccccc2S(N)(=O)=O)CCOCC1
InChIInChI=1S/C12H17N3O4S/c13-12(5-7-19-8-6-12)11(16)15-9-3-1-2-4-10(9)20(14,17)18/h1-4H,5-8,13H2,(H,15,16)(H2,14,17,18)
InChIKeyRKODMGRHHQYPKS-UHFFFAOYSA-N
XLogP-0.22
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621
4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
CID 113280618
3-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115293785
2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
CID 106102216
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide
CID 81499886
4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
CID 115293503
4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
CID 115295152

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide (CID 115294474) is 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide is NC1(C(=O)Nc2ccccc2S(N)(=O)=O)CCOCC1.
What is the InChIKey of 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide?
The InChIKey is RKODMGRHHQYPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c13-12(5-7-19-8-6-12)11(16)15-9-3-1-2-4-10(9)20(14,17)18/h1-4H,5-8,13H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide?
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide has a molecular weight of 299.35 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115294474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).