3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C10H8ClFN2O2S2 — CID 23728050

IUPAC3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H8ClFN2O2S2/c1-6-5-13-10(17-6)14-18(15,16)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeyASEYECFVXZBPDF-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.04
Rot. Bonds3

About 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 23728050) has the molecular formula C10H8ClFN2O2S2 and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID23728050
Molecular FormulaC10H8ClFN2O2S2
Molecular Weight306.77 g/mol
Exact Mass305.97
IUPAC Name3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H8ClFN2O2S2/c1-6-5-13-10(17-6)14-18(15,16)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeyASEYECFVXZBPDF-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 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 23728050) is 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ASEYECFVXZBPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2S2/c1-6-5-13-10(17-6)14-18(15,16)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14).
What are the key properties of 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide 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 3-chloro-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 23728050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).