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

C20H22N2O3S — CID 20935543

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-6-10-18(11-7-13)22(5)26(23,24)19-12-17(9-8-14(19)2)20-15(3)16(4)21-25-20/h6-12H,1-5H3
InChIKeySVHBSPMUMIREKE-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.40
Rot. Bonds4

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

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 20935543) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID20935543
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-6-10-18(11-7-13)22(5)26(23,24)19-12-17(9-8-14(19)2)20-15(3)16(4)21-25-20/h6-12H,1-5H3
InChIKeySVHBSPMUMIREKE-UHFFFAOYSA-N
XLogP4.40
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 53054316
N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935509
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 20935524
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20959170
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502
8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 20935529
3,4-dimethyl-5-[4-methyl-3-(3-methylindol-1-yl)sulfonylphenyl]-1,2-oxazole
CID 90469174
N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935555
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 114625565

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide (CID 20935543) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is SVHBSPMUMIREKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-6-10-18(11-7-13)22(5)26(23,24)19-12-17(9-8-14(19)2)20-15(3)16(4)21-25-20/h6-12H,1-5H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 20935543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).