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

C18H17FN2O2S2 — CID 7216718

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H17FN2O2S2/c1-13-5-7-17(8-6-13)25(22,23)20-10-9-16-12-24-18(21-16)14-3-2-4-15(19)11-14/h2-8,11-12,20H,9-10H2,1H3
InChIKeyKKUSWRARLKXFKE-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.78
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 7216718) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID7216718
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H17FN2O2S2/c1-13-5-7-17(8-6-13)25(22,23)20-10-9-16-12-24-18(21-16)14-3-2-4-15(19)11-14/h2-8,11-12,20H,9-10H2,1H3
InChIKeyKKUSWRARLKXFKE-UHFFFAOYSA-N
XLogP3.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide (CID 7216718) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is KKUSWRARLKXFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c1-13-5-7-17(8-6-13)25(22,23)20-10-9-16-12-24-18(21-16)14-3-2-4-15(19)11-14/h2-8,11-12,20H,9-10H2,1H3.
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7216718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).