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

C12H13FN2O2S2 — CID 7119042

IUPAC4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H13FN2O2S2/c1-9-15-11(8-18-9)6-7-14-19(16,17)12-4-2-10(13)3-5-12/h2-5,8,14H,6-7H2,1H3
InChIKeyBBPXCWIDJFJDFK-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.11
Rot. Bonds5

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

4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 7119042) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID7119042
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H13FN2O2S2/c1-9-15-11(8-18-9)6-7-14-19(16,17)12-4-2-10(13)3-5-12/h2-5,8,14H,6-7H2,1H3
InChIKeyBBPXCWIDJFJDFK-UHFFFAOYSA-N
XLogP2.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 7119042) is 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Cc1nc(CCNS(=O)(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is BBPXCWIDJFJDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c1-9-15-11(8-18-9)6-7-14-19(16,17)12-4-2-10(13)3-5-12/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7119042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).