4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid

C14H9FN2O4S3 — CID 167476255

IUPAC4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cs1
InChIInChI=1S/C14H9FN2O4S3/c15-9-3-1-8(2-4-9)13-16-12(7-23-13)24(20,21)17-10-5-11(14(18)19)22-6-10/h1-7,17H,(H,18,19)
InChIKeySSLRPYCWKCHYTP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.51
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 167476255) has the molecular formula C14H9FN2O4S3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid
PubChem CID167476255
Molecular FormulaC14H9FN2O4S3
Molecular Weight384.44 g/mol
Exact Mass383.97
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cs1
InChIInChI=1S/C14H9FN2O4S3/c15-9-3-1-8(2-4-9)13-16-12(7-23-13)24(20,21)17-10-5-11(14(18)19)22-6-10/h1-7,17H,(H,18,19)
InChIKeySSLRPYCWKCHYTP-UHFFFAOYSA-N
XLogP3.51
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid (CID 167476255) is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cs1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is SSLRPYCWKCHYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4S3/c15-9-3-1-8(2-4-9)13-16-12(7-23-13)24(20,21)17-10-5-11(14(18)19)22-6-10/h1-7,17H,(H,18,19).
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid?
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 167476255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).