N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide

C17H14N2O5S — CID 46394791

IUPACN-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C17H14N2O5S/c1-22-16-5-3-2-4-14(16)19-25(20,21)12-6-7-15-13(8-12)17-11(10-23-15)9-18-24-17/h2-9,19H,10H2,1H3
InChIKeyATLVOWWEZWRWLH-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.04
Rot. Bonds4

About N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide

N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (PubChem CID 46394791) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
PubChem CID46394791
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC NameN-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C17H14N2O5S/c1-22-16-5-3-2-4-14(16)19-25(20,21)12-6-7-15-13(8-12)17-11(10-23-15)9-18-24-17/h2-9,19H,10H2,1H3
InChIKeyATLVOWWEZWRWLH-UHFFFAOYSA-N
XLogP3.04
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394712
N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394800
N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394722
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110759012
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
CID 55255299
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 4962335

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (CID 46394791) is N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2c(c1)-c1oncc1CO2.
What is the InChIKey of N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The InChIKey is ATLVOWWEZWRWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-22-16-5-3-2-4-14(16)19-25(20,21)12-6-7-15-13(8-12)17-11(10-23-15)9-18-24-17/h2-9,19H,10H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide has a molecular weight of 358.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is sourced from PubChem (CID 46394791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).