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

C19H21N3O3S — CID 10761748

IUPAC2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2cccc(N(C)C)c2)c1C
InChIInChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-11-6-5-10-17(18)15-8-7-9-16(12-15)22(3)4/h5-12,21H,1-4H3
InChIKeyIRGOLZQDQJNOFK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.83
Rot. Bonds5

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

2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 10761748) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID10761748
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2cccc(N(C)C)c2)c1C
InChIInChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-11-6-5-10-17(18)15-8-7-9-16(12-15)22(3)4/h5-12,21H,1-4H3
InChIKeyIRGOLZQDQJNOFK-UHFFFAOYSA-N
XLogP3.83
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 10761748) is 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2cccc(N(C)C)c2)c1C.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is IRGOLZQDQJNOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-11-6-5-10-17(18)15-8-7-9-16(12-15)22(3)4/h5-12,21H,1-4H3.
What are the key properties of 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10761748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).