furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate

C17H15ClN2O5S2 — CID 10216591

IUPACfuran-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCC(=O)Oc2ccco2)s1
InChIInChI=1S/C17H15ClN2O5S2/c1-11-13(18)4-2-5-14(11)27(22,23)20-17-19-10-12(26-17)7-8-15(21)25-16-6-3-9-24-16/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyNZHLBUOHCCSYSS-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.04
Rot. Bonds7

About furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate

furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate (PubChem CID 10216591) has the molecular formula C17H15ClN2O5S2 and a molecular weight of 426.90 g/mol. Its IUPAC name is furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Namefuran-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate
PubChem CID10216591
Molecular FormulaC17H15ClN2O5S2
Molecular Weight426.90 g/mol
Exact Mass426.01
IUPAC Namefuran-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCC(=O)Oc2ccco2)s1
InChIInChI=1S/C17H15ClN2O5S2/c1-11-13(18)4-2-5-14(11)27(22,23)20-17-19-10-12(26-17)7-8-15(21)25-16-6-3-9-24-16/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyNZHLBUOHCCSYSS-UHFFFAOYSA-N
XLogP4.04
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate?
The IUPAC name of furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate (CID 10216591) is furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCC(=O)Oc2ccco2)s1.
What is the InChIKey of furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate?
The InChIKey is NZHLBUOHCCSYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S2/c1-11-13(18)4-2-5-14(11)27(22,23)20-17-19-10-12(26-17)7-8-15(21)25-16-6-3-9-24-16/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate?
furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate has a molecular weight of 426.90 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 10216591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).