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

C12H13FN2O2S2 — CID 51892255

IUPAC2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)c2ccccc2F)s1
InChIInChI=1S/C12H13FN2O2S2/c1-9-14-7-10(18-9)8-15(2)19(16,17)12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3
InChIKeyMDRXKDXANLOYJA-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.41
Rot. Bonds4

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

2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 51892255) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID51892255
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)c2ccccc2F)s1
InChIInChI=1S/C12H13FN2O2S2/c1-9-14-7-10(18-9)8-15(2)19(16,17)12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3
InChIKeyMDRXKDXANLOYJA-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 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 51892255) is 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1ncc(CN(C)S(=O)(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is MDRXKDXANLOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c1-9-14-7-10(18-9)8-15(2)19(16,17)12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
2-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 2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 51892255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).