2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C12H12Cl2N2O3S — CID 8519137

IUPAC2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)no1
InChIInChI=1S/C12H12Cl2N2O3S/c1-6-4-9(13)8(3)12(11(6)14)20(17,18)16-10-5-7(2)19-15-10/h4-5H,1-3H3,(H,15,16)
InChIKeyQDJMKGSJJHPNEU-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.71
Rot. Bonds3

About 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 8519137) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID8519137
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)no1
InChIInChI=1S/C12H12Cl2N2O3S/c1-6-4-9(13)8(3)12(11(6)14)20(17,18)16-10-5-7(2)19-15-10/h4-5H,1-3H3,(H,15,16)
InChIKeyQDJMKGSJJHPNEU-UHFFFAOYSA-N
XLogP3.71
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide 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

2,3,4,5,6-pentamethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 8519153
2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
CID 115750897
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 26969811
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
3-amino-5-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378522
lithium 2,5-dichloro-3,6-dimethylbenzenesulfonate
CID 162685742
2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 8500581
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656
3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 91652653
3-amino-5-bromo-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378523
lithium;2,5-dichloro-3,6-dimethylbenzenesulfonic acid;hydride
CID 174049527

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 8519137) is 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)no1.
What is the InChIKey of 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is QDJMKGSJJHPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-6-4-9(13)8(3)12(11(6)14)20(17,18)16-10-5-7(2)19-15-10/h4-5H,1-3H3,(H,15,16).
What are the key properties of 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 335.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 8519137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).