(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C13H14N2O4S — CID 97220391

IUPAC(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)no1
InChIInChI=1S/C13H14N2O4S/c1-8-5-10-7-11(3-4-12(10)18-8)20(16,17)15-13-6-9(2)19-14-13/h3-4,6-8H,5H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyBNRRTFZYRCYTBG-QMMMGPOBSA-N
MW294.33 g/mol
LogP2.11
Rot. Bonds3

About (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 97220391) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID97220391
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)no1
InChIInChI=1S/C13H14N2O4S/c1-8-5-10-7-11(3-4-12(10)18-8)20(16,17)15-13-6-9(2)19-14-13/h3-4,6-8H,5H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyBNRRTFZYRCYTBG-QMMMGPOBSA-N
XLogP2.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

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Related Compounds

(2S)-N-(6-tert-butylpyridazin-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 99793673
N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126839623
2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119973166
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
N-[3,5-bis(hydroxymethyl)phenyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126823942
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 75430990
(2S)-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 99603521
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 127424138
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375430
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 97220391) is (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)no1.
What is the InChIKey of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BNRRTFZYRCYTBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-8-5-10-7-11(3-4-12(10)18-8)20(16,17)15-13-6-9(2)19-14-13/h3-4,6-8H,5H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 97220391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).