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

C18H18N2O4S — CID 53054335

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)c1
InChIInChI=1S/C18H18N2O4S/c1-12-18(13(2)24-19-12)14-7-9-17(10-8-14)25(21,22)20-15-5-4-6-16(11-15)23-3/h4-11,20H,1-3H3
InChIKeyZCMLGRNZSPRDKC-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.77
Rot. Bonds5

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 53054335) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID53054335
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)c1
InChIInChI=1S/C18H18N2O4S/c1-12-18(13(2)24-19-12)14-7-9-17(10-8-14)25(21,22)20-15-5-4-6-16(11-15)23-3/h4-11,20H,1-3H3
InChIKeyZCMLGRNZSPRDKC-UHFFFAOYSA-N
XLogP3.77
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 53054416
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 20959047
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide (CID 53054335) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)c1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is ZCMLGRNZSPRDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-18(13(2)24-19-12)14-7-9-17(10-8-14)25(21,22)20-15-5-4-6-16(11-15)23-3/h4-11,20H,1-3H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 53054335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).