2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide

C13H10ClN3O2S2 — CID 43456143

IUPAC2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1cccc2ncccc12
InChIInChI=1S/C13H10ClN3O2S2/c1-8-12(20-13(14)16-8)21(18,19)17-11-6-2-5-10-9(11)4-3-7-15-10/h2-7,17H,1H3
InChIKeySKVWGLGXMSKNNX-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.45
Rot. Bonds3

About 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide (PubChem CID 43456143) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide
PubChem CID43456143
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC Name2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1cccc2ncccc12
InChIInChI=1S/C13H10ClN3O2S2/c1-8-12(20-13(14)16-8)21(18,19)17-11-6-2-5-10-9(11)4-3-7-15-10/h2-7,17H,1H3
InChIKeySKVWGLGXMSKNNX-UHFFFAOYSA-N
XLogP3.45
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
3-methoxy-N-quinolin-5-ylthiophene-2-sulfonamide
CID 75435601
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131
2-chloro-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415374
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 62908053
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
2-chloro-N-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456195
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 106831897
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide (CID 43456143) is 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is SKVWGLGXMSKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c1-8-12(20-13(14)16-8)21(18,19)17-11-6-2-5-10-9(11)4-3-7-15-10/h2-7,17H,1H3.
What are the key properties of 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 339.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).