2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

C14H13N3O4S — CID 4962335

IUPAC2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(N)nc2c1
InChIInChI=1S/C14H13N3O4S/c1-20-12-5-3-2-4-10(12)17-22(18,19)9-6-7-13-11(8-9)16-14(15)21-13/h2-8,17H,1H3,(H2,15,16)
InChIKeyHYIGKSKNTOEEFM-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.22
Rot. Bonds4

About 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide (PubChem CID 4962335) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
PubChem CID4962335
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(N)nc2c1
InChIInChI=1S/C14H13N3O4S/c1-20-12-5-3-2-4-10(12)17-22(18,19)9-6-7-13-11(8-9)16-14(15)21-13/h2-8,17H,1H3,(H2,15,16)
InChIKeyHYIGKSKNTOEEFM-UHFFFAOYSA-N
XLogP2.22
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-1-cyanoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 8926890
2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25037684
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)-1,3-benzoxazole-5-sulfonamide
CID 2428628
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 16533268
N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2642267
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25039293
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41274677
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41254514

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide (CID 4962335) is 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(N)nc2c1.
What is the InChIKey of 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The InChIKey is HYIGKSKNTOEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-20-12-5-3-2-4-10(12)17-22(18,19)9-6-7-13-11(8-9)16-14(15)21-13/h2-8,17H,1H3,(H2,15,16).
What are the key properties of 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide has a molecular weight of 319.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 4962335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).