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

C12H12Cl2N2O3S — CID 110714870

IUPAC3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H12Cl2N2O3S/c1-7-12(19-8(2)16-7)6-15-20(17,18)9-3-4-10(13)11(14)5-9/h3-5,15H,6H2,1-2H3
InChIKeyKLHUFVPVEMFXST-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.08
Rot. Bonds4

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

3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110714870) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID110714870
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H12Cl2N2O3S/c1-7-12(19-8(2)16-7)6-15-20(17,18)9-3-4-10(13)11(14)5-9/h3-5,15H,6H2,1-2H3
InChIKeyKLHUFVPVEMFXST-UHFFFAOYSA-N
XLogP3.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110714907
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737987
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993357
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide
CID 110718842
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 110714870) is 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1nc(C)c(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is KLHUFVPVEMFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-7-12(19-8(2)16-7)6-15-20(17,18)9-3-4-10(13)11(14)5-9/h3-5,15H,6H2,1-2H3.
What are the key properties of 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 335.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110714870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).