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

C12H13FN2O2S2 — CID 51892254

IUPAC4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C12H13FN2O2S2/c1-9-14-7-11(18-9)8-15(2)19(16,17)12-5-3-10(13)4-6-12/h3-7H,8H2,1-2H3
InChIKeyZFZHGXAYLAZISZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.41
Rot. Bonds4

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

4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 51892254) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID51892254
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C12H13FN2O2S2/c1-9-14-7-11(18-9)8-15(2)19(16,17)12-5-3-10(13)4-6-12/h3-7H,8H2,1-2H3
InChIKeyZFZHGXAYLAZISZ-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-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 51892254) is 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1ncc(CN(C)S(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is ZFZHGXAYLAZISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c1-9-14-7-11(18-9)8-15(2)19(16,17)12-5-3-10(13)4-6-12/h3-7H,8H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]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-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 51892254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).