N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide

C19H19FN2O3S2 — CID 7518683

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C
InChIInChI=1S/C19H19FN2O3S2/c1-13-10-17(6-7-18(13)25-2)27(23,24)21-9-8-16-12-26-19(22-16)14-4-3-5-15(20)11-14/h3-7,10-12,21H,8-9H2,1-2H3
InChIKeyRTRXRMCTPAPALI-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.79
Rot. Bonds7

About N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 7518683) has the molecular formula C19H19FN2O3S2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID7518683
Molecular FormulaC19H19FN2O3S2
Molecular Weight406.50 g/mol
Exact Mass406.08
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C
InChIInChI=1S/C19H19FN2O3S2/c1-13-10-17(6-7-18(13)25-2)27(23,24)21-9-8-16-12-26-19(22-16)14-4-3-5-15(20)11-14/h3-7,10-12,21H,8-9H2,1-2H3
InChIKeyRTRXRMCTPAPALI-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide (CID 7518683) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is RTRXRMCTPAPALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S2/c1-13-10-17(6-7-18(13)25-2)27(23,24)21-9-8-16-12-26-19(22-16)14-4-3-5-15(20)11-14/h3-7,10-12,21H,8-9H2,1-2H3.
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 7518683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).