N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide

C21H17N3O5S — CID 154837995

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2-c2ccno2)cc1
InChIInChI=1S/C21H17N3O5S/c1-27-15-8-10-16(11-9-15)28-21-18(6-4-13-22-21)24-30(25,26)20-7-3-2-5-17(20)19-12-14-23-29-19/h2-14,24H,1H3
InChIKeySAQYCIQPFBAAJQ-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.34
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 154837995) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID154837995
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2-c2ccno2)cc1
InChIInChI=1S/C21H17N3O5S/c1-27-15-8-10-16(11-9-15)28-21-18(6-4-13-22-21)24-30(25,26)20-7-3-2-5-17(20)19-12-14-23-29-19/h2-14,24H,1H3
InChIKeySAQYCIQPFBAAJQ-UHFFFAOYSA-N
XLogP4.34
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylbenzenesulfonamide
CID 71886438
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
2-(4-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572912
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
2,5-dichloro-N-(2-phenoxy-3-pyridinyl)benzenesulfonamide
CID 155812324
2-(1,2-oxazol-5-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75449161
N-(4-methoxyphenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079438
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
CID 67026821
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)benzenesulfonamide
CID 10713411
N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
CID 55661422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide (CID 154837995) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide is COc1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2-c2ccno2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is SAQYCIQPFBAAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S/c1-27-15-8-10-16(11-9-15)28-21-18(6-4-13-22-21)24-30(25,26)20-7-3-2-5-17(20)19-12-14-23-29-19/h2-14,24H,1H3.
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 423.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 154837995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).