methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate

C14H17ClN2O6S3 — CID 162157166

IUPACmethanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1cccc(NS(C)(=O)=O)c1.CS(=O)(=O)Cl
InChIInChI=1S/C13H14N2O4S2.CH3ClO2S/c1-8-14-11(13(16)19-2)12(20-8)9-5-4-6-10(7-9)15-21(3,17)18;1-5(2,3)4/h4-7,15H,1-3H3;1H3
InChIKeyZLZDIOLXIRKDMS-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.46
Rot. Bonds4

About methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate

methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 162157166) has the molecular formula C14H17ClN2O6S3 and a molecular weight of 440.95 g/mol. Its IUPAC name is methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID162157166
Molecular FormulaC14H17ClN2O6S3
Molecular Weight440.95 g/mol
Exact Mass439.99
IUPAC Namemethanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1cccc(NS(C)(=O)=O)c1.CS(=O)(=O)Cl
InChIInChI=1S/C13H14N2O4S2.CH3ClO2S/c1-8-14-11(13(16)19-2)12(20-8)9-5-4-6-10(7-9)15-21(3,17)18;1-5(2,3)4/h4-7,15H,1-3H3;1H3
InChIKeyZLZDIOLXIRKDMS-UHFFFAOYSA-N
XLogP2.46
TPSA119.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate 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-[4-[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methyl-1,3-thiazol-5-yl]phenyl]methanesulfonamide
CID 68634181
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 123763604
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 67232095
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510668
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688

Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate (CID 162157166) is methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1cccc(NS(C)(=O)=O)c1.CS(=O)(=O)Cl.
What is the InChIKey of methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is ZLZDIOLXIRKDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2.CH3ClO2S/c1-8-14-11(13(16)19-2)12(20-8)9-5-4-6-10(7-9)15-21(3,17)18;1-5(2,3)4/h4-7,15H,1-3H3;1H3.
What are the key properties of methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate?
methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 440.95 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 162157166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).