4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C11H11FN2O2S2 — CID 110715749

IUPAC4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1nccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O2S2/c1-14(8-11-13-6-7-17-11)18(15,16)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3
InChIKeyFJZDDDSAQCYJIL-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.10
Rot. Bonds4

About 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110715749) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110715749
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1nccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O2S2/c1-14(8-11-13-6-7-17-11)18(15,16)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3
InChIKeyFJZDDDSAQCYJIL-UHFFFAOYSA-N
XLogP2.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110715749) is 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is CN(Cc1nccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is FJZDDDSAQCYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-14(8-11-13-6-7-17-11)18(15,16)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110715749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).