2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide

C12H14N2O5S — CID 139019102

IUPAC2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnoc2C)c1OC
InChIInChI=1S/C12H14N2O5S/c1-8-9(7-13-19-8)14-20(15,16)11-6-4-5-10(17-2)12(11)18-3/h4-7,14H,1-3H3
InChIKeyKIGDPJSOFIISPG-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.80
Rot. Bonds5

About 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide

2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 139019102) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID139019102
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnoc2C)c1OC
InChIInChI=1S/C12H14N2O5S/c1-8-9(7-13-19-8)14-20(15,16)11-6-4-5-10(17-2)12(11)18-3/h4-7,14H,1-3H3
InChIKeyKIGDPJSOFIISPG-UHFFFAOYSA-N
XLogP1.80
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562184
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
3-[(2-methoxyphenyl)sulfonylamino]-2-methylbenzamide
CID 86983204
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 139019102) is 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cnoc2C)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is KIGDPJSOFIISPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-8-9(7-13-19-8)14-20(15,16)11-6-4-5-10(17-2)12(11)18-3/h4-7,14H,1-3H3.
What are the key properties of 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 298.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(5-methyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 139019102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).