N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide

C24H22N2O4S — CID 10836583

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCc3ccccc3)cc2)c1C
InChIInChI=1S/C24H22N2O4S/c1-17-18(2)25-30-24(17)26-31(27,28)23-11-7-6-10-22(23)20-12-14-21(15-13-20)29-16-19-8-4-3-5-9-19/h3-15,26H,16H2,1-2H3
InChIKeyZYLOLYHYEVOCLC-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.34
Rot. Bonds7

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 10836583) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID10836583
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCc3ccccc3)cc2)c1C
InChIInChI=1S/C24H22N2O4S/c1-17-18(2)25-30-24(17)26-31(27,28)23-11-7-6-10-22(23)20-12-14-21(15-13-20)29-16-19-8-4-3-5-9-19/h3-15,26H,16H2,1-2H3
InChIKeyZYLOLYHYEVOCLC-UHFFFAOYSA-N
XLogP5.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2''-Hydroxymethyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9950670
4-Hydroxy-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10501166
4''-Isobutoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10525034
4''-Isobutyl-2''-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10597897
4''-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10620185
4''-Isobutyl-5-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10693130
4''-Methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10713411
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-[4-(propan-2-yl)phenoxy]acetamide
CID 985941
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10549727
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10670965
Lithium 2-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-[4-(2-methylpropyl)phenyl]phenoxy]acetate
CID 44365792
5-Methoxy-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10449431

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 10836583) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCc3ccccc3)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is ZYLOLYHYEVOCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-17-18(2)25-30-24(17)26-31(27,28)23-11-7-6-10-22(23)20-12-14-21(15-13-20)29-16-19-8-4-3-5-9-19/h3-15,26H,16H2,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10836583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).