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

C14H17FN2O3S2 — CID 75476752

IUPAC3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2nccs2)c(C)c1F
InChIInChI=1S/C14H17FN2O3S2/c1-9-11(6-5-10(20-4)12(9)15)22(18,19)17-14(2,3)13-16-7-8-21-13/h5-8,17H,1-4H3
InChIKeyHLKQGGOPGBNSBP-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.81
Rot. Bonds5

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

3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide (PubChem CID 75476752) has the molecular formula C14H17FN2O3S2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide
PubChem CID75476752
Molecular FormulaC14H17FN2O3S2
Molecular Weight344.43 g/mol
Exact Mass344.07
IUPAC Name3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2nccs2)c(C)c1F
InChIInChI=1S/C14H17FN2O3S2/c1-9-11(6-5-10(20-4)12(9)15)22(18,19)17-14(2,3)13-16-7-8-21-13/h5-8,17H,1-4H3
InChIKeyHLKQGGOPGBNSBP-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide (CID 75476752) is 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)c2nccs2)c(C)c1F.
What is the InChIKey of 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is HLKQGGOPGBNSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S2/c1-9-11(6-5-10(20-4)12(9)15)22(18,19)17-14(2,3)13-16-7-8-21-13/h5-8,17H,1-4H3.
What are the key properties of 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide?
3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 344.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 75476752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).