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

C21H24N2O3S — CID 10762600

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1onc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2)c1C
InChIInChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyBBNRKSPDJHJZHA-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.96
Rot. Bonds6

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

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10762600) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10762600
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1onc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2)c1C
InChIInChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyBBNRKSPDJHJZHA-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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10762600) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide is Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is BBNRKSPDJHJZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(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-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10762600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).