methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate

C15H13N3O6S — CID 146025128

IUPACmethyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C15H13N3O6S/c1-18-11-8-10(3-4-12(11)24-15(18)20)25(21,22)17-13-7-9(5-6-16-13)14(19)23-2/h3-8H,1-2H3,(H,16,17)
InChIKeyFCVPXCYUSWEOMU-UHFFFAOYSA-N
MW363.35 g/mol
LogP1.11
Rot. Bonds4

About methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate

methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate (PubChem CID 146025128) has the molecular formula C15H13N3O6S and a molecular weight of 363.35 g/mol. Its IUPAC name is methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate
PubChem CID146025128
Molecular FormulaC15H13N3O6S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC Namemethyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C15H13N3O6S/c1-18-11-8-10(3-4-12(11)24-15(18)20)25(21,22)17-13-7-9(5-6-16-13)14(19)23-2/h3-8H,1-2H3,(H,16,17)
InChIKeyFCVPXCYUSWEOMU-UHFFFAOYSA-N
XLogP1.11
TPSA120.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 170286220
N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide
CID 110677053
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
3-methyl-2-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 146025070
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 108781343
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate (CID 146025128) is methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate is COC(=O)c1ccnc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1.
What is the InChIKey of methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate?
The InChIKey is FCVPXCYUSWEOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6S/c1-18-11-8-10(3-4-12(11)24-15(18)20)25(21,22)17-13-7-9(5-6-16-13)14(19)23-2/h3-8H,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate?
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate has a molecular weight of 363.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate is sourced from PubChem (CID 146025128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).