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

C12H13FN2O2S2 — CID 110723572

IUPAC4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(N(C)S(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C12H13FN2O2S2/c1-8-6-10(13)4-5-11(8)19(16,17)15(3)12-14-9(2)7-18-12/h4-7H,1-3H3
InChIKeyWABFCXQQVXHAQD-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.72
Rot. Bonds3

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

4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110723572) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110723572
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(N(C)S(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C12H13FN2O2S2/c1-8-6-10(13)4-5-11(8)19(16,17)15(3)12-14-9(2)7-18-12/h4-7H,1-3H3
InChIKeyWABFCXQQVXHAQD-UHFFFAOYSA-N
XLogP2.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723615
4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723564
4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723612
4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47148979
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
methyl 4-fluoro-2-methylbenzenesulfonate
CID 117037987
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 62008245

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 110723572) is 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(N(C)S(=O)(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WABFCXQQVXHAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c1-8-6-10(13)4-5-11(8)19(16,17)15(3)12-14-9(2)7-18-12/h4-7H,1-3H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110723572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).