1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate

C17H15N3O4S2 — CID 71848758

IUPAC1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1
InChIInChI=1S/C17H15N3O4S2/c1-12(14-3-2-8-18-11-14)24-16(21)13-4-6-15(7-5-13)26(22,23)20-17-19-9-10-25-17/h2-12H,1H3,(H,19,20)
InChIKeyYPEIOABPBKYUFH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.26
Rot. Bonds6

About 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate

1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate (PubChem CID 71848758) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate
PubChem CID71848758
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC Name1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1
InChIInChI=1S/C17H15N3O4S2/c1-12(14-3-2-8-18-11-14)24-16(21)13-4-6-15(7-5-13)26(22,23)20-17-19-9-10-25-17/h2-12H,1H3,(H,19,20)
InChIKeyYPEIOABPBKYUFH-UHFFFAOYSA-N
XLogP3.26
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-pyridin-3-ylethyl] 4-formylbenzoate
CID 95346451
N-[1-(2-chlorophenyl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487830
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
diethyl 2-[(R)-phenyl-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]methyl]propanedioate
CID 166453765
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 4948208
1-(1,3-thiazol-2-yl)ethyl 4-(pyridin-3-ylmethylsulfanyl)benzoate
CID 91646436
2-(4-methoxyphenyl)-2-sulfanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25048712
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
2-(4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1015546

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate?
The IUPAC name of 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate (CID 71848758) is 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate.
What is the SMILES notation for 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate?
The canonical SMILES for 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate is CC(OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate?
The InChIKey is YPEIOABPBKYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-12(14-3-2-8-18-11-14)24-16(21)13-4-6-15(7-5-13)26(22,23)20-17-19-9-10-25-17/h2-12H,1H3,(H,19,20).
What are the key properties of 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate?
1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate has a molecular weight of 389.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylethyl 4-(1,3-thiazol-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 71848758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).