N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide

C20H18N4O3S — CID 22103589

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncc[nH]3)cc2)c1C
InChIInChI=1S/C20H18N4O3S/c1-13-14(2)23-27-20(13)24-28(25,26)18-6-4-3-5-17(18)15-7-9-16(10-8-15)19-21-11-12-22-19/h3-12,24H,1-2H3,(H,21,22)
InChIKeyFNTMFRCZIVZTGK-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.15
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 22103589) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
PubChem CID22103589
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncc[nH]3)cc2)c1C
InChIInChI=1S/C20H18N4O3S/c1-13-14(2)23-27-20(13)24-28(25,26)18-6-4-3-5-17(18)15-7-9-16(10-8-15)19-21-11-12-22-19/h3-12,24H,1-2H3,(H,21,22)
InChIKeyFNTMFRCZIVZTGK-UHFFFAOYSA-N
XLogP4.15
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide (CID 22103589) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncc[nH]3)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is FNTMFRCZIVZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-13-14(2)23-27-20(13)24-28(25,26)18-6-4-3-5-17(18)15-7-9-16(10-8-15)19-21-11-12-22-19/h3-12,24H,1-2H3,(H,21,22).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1H-imidazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 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-(1H-imidazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22103589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).