2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide

C11H9ClF2N2O3S2 — CID 43415374

IUPAC2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C11H9ClF2N2O3S2/c1-6-9(20-10(12)15-6)21(17,18)16-7-4-2-3-5-8(7)19-11(13)14/h2-5,11,16H,1H3
InChIKeyKIIMPCCYYCHBLF-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.51
Rot. Bonds5

About 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43415374) has the molecular formula C11H9ClF2N2O3S2 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43415374
Molecular FormulaC11H9ClF2N2O3S2
Molecular Weight354.79 g/mol
Exact Mass353.97
IUPAC Name2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C11H9ClF2N2O3S2/c1-6-9(20-10(12)15-6)21(17,18)16-7-4-2-3-5-8(7)19-11(13)14/h2-5,11,16H,1H3
InChIKeyKIIMPCCYYCHBLF-UHFFFAOYSA-N
XLogP3.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944418
2-chloro-N-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415373
2-chloro-N-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456195
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
5-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-sulfonamide
CID 106030466
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 106831897

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 43415374) is 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is KIIMPCCYYCHBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O3S2/c1-6-9(20-10(12)15-6)21(17,18)16-7-4-2-3-5-8(7)19-11(13)14/h2-5,11,16H,1H3.
What are the key properties of 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 354.79 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43415374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).