N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide

C14H17FN2O3S2 — CID 7202322

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1F
InChIInChI=1S/C14H17FN2O3S2/c1-9-14(21-10(2)17-9)6-7-16-22(18,19)11-4-5-13(20-3)12(15)8-11/h4-5,8,16H,6-7H2,1-3H3
InChIKeyYECSJHWYCYIZRN-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 7202322) has the molecular formula C14H17FN2O3S2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID7202322
Molecular FormulaC14H17FN2O3S2
Molecular Weight344.43 g/mol
Exact Mass344.07
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1F
InChIInChI=1S/C14H17FN2O3S2/c1-9-14(21-10(2)17-9)6-7-16-22(18,19)11-4-5-13(20-3)12(15)8-11/h4-5,8,16H,6-7H2,1-3H3
InChIKeyYECSJHWYCYIZRN-UHFFFAOYSA-N
XLogP2.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 7202322) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1F.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is YECSJHWYCYIZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S2/c1-9-14(21-10(2)17-9)6-7-16-22(18,19)11-4-5-13(20-3)12(15)8-11/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 344.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7202322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).