N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H10Cl2N2O3S2 — CID 104727919

IUPACN-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3S2/c1-5-3-8(13)9(4-7(5)12)15-20(17,18)10-6(2)14-11(16)19-10/h3-4,15H,1-2H3,(H,14,16)
InChIKeyYITLNQBDGMSZBC-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.16
Rot. Bonds3

About N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 104727919) has the molecular formula C11H10Cl2N2O3S2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID104727919
Molecular FormulaC11H10Cl2N2O3S2
Molecular Weight353.25 g/mol
Exact Mass351.95
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3S2/c1-5-3-8(13)9(4-7(5)12)15-20(17,18)10-6(2)14-11(16)19-10/h3-4,15H,1-2H3,(H,14,16)
InChIKeyYITLNQBDGMSZBC-UHFFFAOYSA-N
XLogP3.16
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide 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-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60971346
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274812
N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884611
N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712767
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60985166
2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 61275975
N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712816

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 104727919) is N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1cc(Cl)c(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is YITLNQBDGMSZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3S2/c1-5-3-8(13)9(4-7(5)12)15-20(17,18)10-6(2)14-11(16)19-10/h3-4,15H,1-2H3,(H,14,16).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 353.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 104727919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).