ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C13H13ClN2O4S2 — CID 1101318

IUPACethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O4S2/c1-2-20-12(17)7-10-8-21-13(15-10)16-22(18,19)11-5-3-9(14)4-6-11/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyIITATKCUYSUFMF-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.70
Rot. Bonds6

About ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 1101318) has the molecular formula C13H13ClN2O4S2 and a molecular weight of 360.84 g/mol. Its IUPAC name is ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID1101318
Molecular FormulaC13H13ClN2O4S2
Molecular Weight360.84 g/mol
Exact Mass360.00
IUPAC Nameethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O4S2/c1-2-20-12(17)7-10-8-21-13(15-10)16-22(18,19)11-5-3-9(14)4-6-11/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyIITATKCUYSUFMF-UHFFFAOYSA-N
XLogP2.70
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 717529
Ethyl (2-{[(4-bromophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1346454
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
Ethyl {2-[(benzylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 787285
Ethyl [2-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814007
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
[2-(2,5-Dichloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1147620
Ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799591
Ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799594
Ethyl [2-({[(E)-2-phenylethenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 9924641
2-[2-[(2,4-Dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545677
ethyl 2-[2-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5637473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 1101318) is ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IITATKCUYSUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S2/c1-2-20-12(17)7-10-8-21-13(15-10)16-22(18,19)11-5-3-9(14)4-6-11/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 360.84 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1101318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).