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

C10H8ClFN2O2S2 — CID 43427481

IUPAC2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(Cl)s2)c(F)c1
InChIInChI=1S/C10H8ClFN2O2S2/c1-6-2-3-8(7(12)4-6)14-18(15,16)9-5-13-10(11)17-9/h2-5,14H,1H3
InChIKeyUVCRQTJCYDFFPR-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.04
Rot. Bonds3

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

2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43427481) has the molecular formula C10H8ClFN2O2S2 and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43427481
Molecular FormulaC10H8ClFN2O2S2
Molecular Weight306.77 g/mol
Exact Mass305.97
IUPAC Name2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(Cl)s2)c(F)c1
InChIInChI=1S/C10H8ClFN2O2S2/c1-6-2-3-8(7(12)4-6)14-18(15,16)9-5-13-10(11)17-9/h2-5,14H,1H3
InChIKeyUVCRQTJCYDFFPR-UHFFFAOYSA-N
XLogP3.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide (CID 43427481) is 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(Cl)s2)c(F)c1.
What is the InChIKey of 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UVCRQTJCYDFFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2S2/c1-6-2-3-8(7(12)4-6)14-18(15,16)9-5-13-10(11)17-9/h2-5,14H,1H3.
What are the key properties of 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 306.77 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).