2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H14N2O5S — CID 166375430

IUPAC2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)Nc3ccc4[nH]c(=O)oc4c3)ccc2O1
InChIInChI=1S/C16H14N2O5S/c1-9-6-10-7-12(3-5-14(10)22-9)24(20,21)18-11-2-4-13-15(8-11)23-16(19)17-13/h2-5,7-9,18H,6H2,1H3,(H,17,19)
InChIKeyBKFHLMQQVFFJQL-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 166375430) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID166375430
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)Nc3ccc4[nH]c(=O)oc4c3)ccc2O1
InChIInChI=1S/C16H14N2O5S/c1-9-6-10-7-12(3-5-14(10)22-9)24(20,21)18-11-2-4-13-15(8-11)23-16(19)17-13/h2-5,7-9,18H,6H2,1H3,(H,17,19)
InChIKeyBKFHLMQQVFFJQL-UHFFFAOYSA-N
XLogP2.25
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

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Related Compounds

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 25326023
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 127424138
1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
CID 110350539
N-[3,5-bis(hydroxymethyl)phenyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126823942
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110406150
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97220391
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 155962881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 166375430) is 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1Cc2cc(S(=O)(=O)Nc3ccc4[nH]c(=O)oc4c3)ccc2O1.
What is the InChIKey of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BKFHLMQQVFFJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-9-6-10-7-12(3-5-14(10)22-9)24(20,21)18-11-2-4-13-15(8-11)23-16(19)17-13/h2-5,7-9,18H,6H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 166375430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).