5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C11H6Cl2N2O2S4 — CID 8015649

IUPAC5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)s1
InChIInChI=1S/C11H6Cl2N2O2S4/c12-8-2-1-7(19-8)6-5-18-11(14-6)15-21(16,17)10-4-3-9(13)20-10/h1-5H,(H,14,15)
InChIKeyOKLQRFFTTGSEJH-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.04
Rot. Bonds4

About 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 8015649) has the molecular formula C11H6Cl2N2O2S4 and a molecular weight of 397.36 g/mol. Its IUPAC name is 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID8015649
Molecular FormulaC11H6Cl2N2O2S4
Molecular Weight397.36 g/mol
Exact Mass395.87
IUPAC Name5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)s1
InChIInChI=1S/C11H6Cl2N2O2S4/c12-8-2-1-7(19-8)6-5-18-11(14-6)15-21(16,17)10-4-3-9(13)20-10/h1-5H,(H,14,15)
InChIKeyOKLQRFFTTGSEJH-UHFFFAOYSA-N
XLogP5.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 8015649) is 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is OKLQRFFTTGSEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2S4/c12-8-2-1-7(19-8)6-5-18-11(14-6)15-21(16,17)10-4-3-9(13)20-10/h1-5H,(H,14,15).
What are the key properties of 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 397.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 8015649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).