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

C22H26N2O4S — CID 10501931

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2CO)c1C
InChIInChI=1S/C22H26N2O4S/c1-14(2)11-17-9-10-19(18(12-17)13-25)20-7-5-6-8-21(20)29(26,27)24-22-15(3)16(4)23-28-22/h5-10,12,14,24-25H,11,13H2,1-4H3
InChIKeyGZLDUSIMSNVXNL-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.45
Rot. Bonds7

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10501931) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10501931
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2CO)c1C
InChIInChI=1S/C22H26N2O4S/c1-14(2)11-17-9-10-19(18(12-17)13-25)20-7-5-6-8-21(20)29(26,27)24-22-15(3)16(4)23-28-22/h5-10,12,14,24-25H,11,13H2,1-4H3
InChIKeyGZLDUSIMSNVXNL-UHFFFAOYSA-N
XLogP4.45
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.45
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-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10501931) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2CO)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is GZLDUSIMSNVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-14(2)11-17-9-10-19(18(12-17)13-25)20-7-5-6-8-21(20)29(26,27)24-22-15(3)16(4)23-28-22/h5-10,12,14,24-25H,11,13H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 4.45, 7 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-[2-(hydroxymethyl)-4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10501931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).