5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide

C17H15ClN2O5S — CID 110402489

IUPAC5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H15ClN2O5S/c1-23-13-6-3-11(4-7-13)14-10-19-25-17(14)20-26(21,22)16-9-12(18)5-8-15(16)24-2/h3-10,20H,1-2H3
InChIKeyXXBBLVPIMZMWDG-UHFFFAOYSA-N
MW394.84 g/mol
LogP3.81
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide

5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide (PubChem CID 110402489) has the molecular formula C17H15ClN2O5S and a molecular weight of 394.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
PubChem CID110402489
Molecular FormulaC17H15ClN2O5S
Molecular Weight394.84 g/mol
Exact Mass394.04
IUPAC Name5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H15ClN2O5S/c1-23-13-6-3-11(4-7-13)14-10-19-25-17(14)20-26(21,22)16-9-12(18)5-8-15(16)24-2/h3-10,20H,1-2H3
InChIKeyXXBBLVPIMZMWDG-UHFFFAOYSA-N
XLogP3.81
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,5-dimethylbenzenesulfonamide
CID 110402462
3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
CID 110402595
4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
CID 110402451
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 110402463
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
CID 110402437
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
CID 70601990
CID 70601990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide (CID 110402489) is 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide is COc1ccc(-c2cnoc2NS(=O)(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The InChIKey is XXBBLVPIMZMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S/c1-23-13-6-3-11(4-7-13)14-10-19-25-17(14)20-26(21,22)16-9-12(18)5-8-15(16)24-2/h3-10,20H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide has a molecular weight of 394.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 110402489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).