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

C21H24N2O3S — CID 10643748

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2cccc(CC(C)C)c2)c1C
InChIInChI=1S/C21H24N2O3S/c1-14(2)12-17-8-7-9-18(13-17)19-10-5-6-11-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-11,13-14,23H,12H2,1-4H3
InChIKeyRGMUVVJRXOYNQJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.96
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10643748) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10643748
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2cccc(CC(C)C)c2)c1C
InChIInChI=1S/C21H24N2O3S/c1-14(2)12-17-8-7-9-18(13-17)19-10-5-6-11-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-11,13-14,23H,12H2,1-4H3
InChIKeyRGMUVVJRXOYNQJ-UHFFFAOYSA-N
XLogP4.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10643748) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2cccc(CC(C)C)c2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is RGMUVVJRXOYNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14(2)12-17-8-7-9-18(13-17)19-10-5-6-11-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-11,13-14,23H,12H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[3-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10643748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).