N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione

C14H13Cl2F2N5O6S — CID 89487907

IUPACN-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione
SMILESCc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.O=C1COC(=O)N1
InChIInChI=1S/C11H10Cl2F2N4O3S.C3H3NO3/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13;5-2-1-7-3(6)4-2/h3-4,10,17H,1-2H3;1H2,(H,4,5,6)
InChIKeyDCLVTRIJODMXQU-UHFFFAOYSA-N
MW488.26 g/mol
LogP1.67
Rot. Bonds4

About N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione

N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione (PubChem CID 89487907) has the molecular formula C14H13Cl2F2N5O6S and a molecular weight of 488.26 g/mol. Its IUPAC name is N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound NameN-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione
PubChem CID89487907
Molecular FormulaC14H13Cl2F2N5O6S
Molecular Weight488.26 g/mol
Exact Mass486.99
IUPAC NameN-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione
SMILESCc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.O=C1COC(=O)N1
InChIInChI=1S/C11H10Cl2F2N4O3S.C3H3NO3/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13;5-2-1-7-3(6)4-2/h3-4,10,17H,1-2H3;1H2,(H,4,5,6)
InChIKeyDCLVTRIJODMXQU-UHFFFAOYSA-N
XLogP1.67
TPSA141.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione?
The IUPAC name of N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione (CID 89487907) is N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione.
What is the SMILES notation for N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione?
The canonical SMILES for N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione is Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.O=C1COC(=O)N1.
What is the InChIKey of N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione?
The InChIKey is DCLVTRIJODMXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F2N4O3S.C3H3NO3/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13;5-2-1-7-3(6)4-2/h3-4,10,17H,1-2H3;1H2,(H,4,5,6).
What are the key properties of N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione?
N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione has a molecular weight of 488.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 89487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).