3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

C19H16FN3O3S2 — CID 22581304

IUPAC3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)cc1F
InChIInChI=1S/C19H16FN3O3S2/c1-12-11-27-19-21-17(10-23(12)19)13-4-3-5-14(8-13)22-28(24,25)15-6-7-18(26-2)16(20)9-15/h3-11,22H,1-2H3
InChIKeyRXRFUKLRTQLNRQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.32
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (PubChem CID 22581304) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
PubChem CID22581304
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC Name3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)cc1F
InChIInChI=1S/C19H16FN3O3S2/c1-12-11-27-19-21-17(10-23(12)19)13-4-3-5-14(8-13)22-28(24,25)15-6-7-18(26-2)16(20)9-15/h3-11,22H,1-2H3
InChIKeyRXRFUKLRTQLNRQ-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (CID 22581304) is 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The InChIKey is RXRFUKLRTQLNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c1-12-11-27-19-21-17(10-23(12)19)13-4-3-5-14(8-13)22-28(24,25)15-6-7-18(26-2)16(20)9-15/h3-11,22H,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22581304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).