N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide

C23H36N2O3S — CID 54316664

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide
SMILESCCCCCCCCCCCCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H36N2O3S/c1-4-5-6-7-8-9-10-11-12-16-19-25(23-20(2)21(3)24-28-23)29(26,27)22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19H2,1-3H3
InChIKeySORLWDFQJCVCAH-UHFFFAOYSA-N
MW420.62 g/mol
LogP6.41
Rot. Bonds14

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide (PubChem CID 54316664) has the molecular formula C23H36N2O3S and a molecular weight of 420.62 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide
PubChem CID54316664
Molecular FormulaC23H36N2O3S
Molecular Weight420.62 g/mol
Exact Mass420.24
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide
SMILESCCCCCCCCCCCCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H36N2O3S/c1-4-5-6-7-8-9-10-11-12-16-19-25(23-20(2)21(3)24-28-23)29(26,27)22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19H2,1-3H3
InChIKeySORLWDFQJCVCAH-UHFFFAOYSA-N
XLogP6.41
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 1488710
N-dodecyl-N-quinolin-8-ylbenzenesulfonamide
CID 54559164
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
tert-butyl N-decyl-N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamate
CID 19757897
N-(benzenesulfonyl)-3,4-dihydroxy-N-octylbenzenesulfonamide
CID 59350260
N,N-dipropylbenzenesulfonamide
CID 4053954
benzenesulfonic acid;nonane
CID 158294552
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
sodium;benzenesulfonate;dodecane
CID 23720024
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-phenyl-N-(4-phenylphenyl)sulfonylbenzenesulfonamide
CID 15453171

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide (CID 54316664) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide is CCCCCCCCCCCCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide?
The InChIKey is SORLWDFQJCVCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3S/c1-4-5-6-7-8-9-10-11-12-16-19-25(23-20(2)21(3)24-28-23)29(26,27)22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide has a molecular weight of 420.62 g/mol, XLogP of 6.41, 14 rotatable bonds, 0 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)-N-dodecylbenzenesulfonamide is sourced from PubChem (CID 54316664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).