methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate

C11H9ClN2O4S2 — CID 60749436

IUPACmethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C11H9ClN2O4S2/c1-18-10(15)7-2-4-8(5-3-7)14-20(16,17)9-6-13-11(12)19-9/h2-6,14H,1H3
InChIKeyWKPBBZVFJBALFY-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.38
Rot. Bonds4

About methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate

methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate (PubChem CID 60749436) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
PubChem CID60749436
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Namemethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C11H9ClN2O4S2/c1-18-10(15)7-2-4-8(5-3-7)14-20(16,17)9-6-13-11(12)19-9/h2-6,14H,1H3
InChIKeyWKPBBZVFJBALFY-UHFFFAOYSA-N
XLogP2.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 60749460
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
CID 61042286
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
methyl 4-[(2-aminopyrimidin-5-yl)sulfonylamino]benzoate
CID 22582879
2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61047553
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
methyl 4-(dimethylsulfamoylamino)benzoate
CID 884458
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 107151868

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate (CID 60749436) is methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1.
What is the InChIKey of methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate?
The InChIKey is WKPBBZVFJBALFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-18-10(15)7-2-4-8(5-3-7)14-20(16,17)9-6-13-11(12)19-9/h2-6,14H,1H3.
What are the key properties of methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate?
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate has a molecular weight of 332.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 60749436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).