3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C11H11FN2O2S2 — CID 3236819

IUPAC3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C11H11FN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-3-9(12)5-11/h2-5,7,13H,6H2,1H3
InChIKeyIDAZMBPJDHADBC-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.07
Rot. Bonds4

About 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 3236819) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID3236819
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C11H11FN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-3-9(12)5-11/h2-5,7,13H,6H2,1H3
InChIKeyIDAZMBPJDHADBC-UHFFFAOYSA-N
XLogP2.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 3236819) is 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cccc(F)c2)cs1.
What is the InChIKey of 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is IDAZMBPJDHADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-3-9(12)5-11/h2-5,7,13H,6H2,1H3.
What are the key properties of 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3236819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).