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

C12H13FN2O2S2 — CID 110715760

IUPAC4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2nccs2)ccc1F
InChIInChI=1S/C12H13FN2O2S2/c1-9-7-10(3-4-11(9)13)19(16,17)15(2)8-12-14-5-6-18-12/h3-7H,8H2,1-2H3
InChIKeyMCRKZFSRVYHVLF-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.41
Rot. Bonds4

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

4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110715760) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110715760
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2nccs2)ccc1F
InChIInChI=1S/C12H13FN2O2S2/c1-9-7-10(3-4-11(9)13)19(16,17)15(2)8-12-14-5-6-18-12/h3-7H,8H2,1-2H3
InChIKeyMCRKZFSRVYHVLF-UHFFFAOYSA-N
XLogP2.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110715760) is 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2nccs2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is MCRKZFSRVYHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c1-9-7-10(3-4-11(9)13)19(16,17)15(2)8-12-14-5-6-18-12/h3-7H,8H2,1-2H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110715760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).