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

C13H14N2O4S2 — CID 717505

IUPACethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H14N2O4S2/c1-2-19-12(16)8-10-9-20-13(14-10)15-21(17,18)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyIJNMHHJKXLKFJT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.05
Rot. Bonds6

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

ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate (PubChem CID 717505) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate
PubChem CID717505
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Nameethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H14N2O4S2/c1-2-19-12(16)8-10-9-20-13(14-10)15-21(17,18)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyIJNMHHJKXLKFJT-UHFFFAOYSA-N
XLogP2.05
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.05
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
[2-(3-Nitro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 3105419
Ethyl (2-{[(4-nitrophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1931972
Ethyl {2-[(benzylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 787285
2-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
CID 3145079
Ethyl (2-{[(4-methoxyphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1147609
Ethyl [2-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814007
Ethyl {2-[(2-naphthylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 1101317
Ethyl (2-{[3-(phenylthio)propanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2228786
[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
[2-(2,5-Dichloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1147620

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate (CID 717505) is ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate?
The InChIKey is IJNMHHJKXLKFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-2-19-12(16)8-10-9-20-13(14-10)15-21(17,18)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate has a molecular weight of 326.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 717505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).