2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide

C9H5Cl2FN2O2S2 — CID 43427473

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1
InChIInChI=1S/C9H5Cl2FN2O2S2/c10-6-3-5(1-2-7(6)12)14-18(15,16)8-4-13-9(11)17-8/h1-4,14H
InChIKeyCIWXJOUDJKYMHL-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.39
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43427473) has the molecular formula C9H5Cl2FN2O2S2 and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43427473
Molecular FormulaC9H5Cl2FN2O2S2
Molecular Weight327.19 g/mol
Exact Mass325.92
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1
InChIInChI=1S/C9H5Cl2FN2O2S2/c10-6-3-5(1-2-7(6)12)14-18(15,16)8-4-13-9(11)17-8/h1-4,14H
InChIKeyCIWXJOUDJKYMHL-UHFFFAOYSA-N
XLogP3.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide (CID 43427473) is 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is CIWXJOUDJKYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2O2S2/c10-6-3-5(1-2-7(6)12)14-18(15,16)8-4-13-9(11)17-8/h1-4,14H.
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 327.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).