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

C18H14FN3O2S2 — CID 7151326

IUPAC3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCc1csc2nc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cn12
InChIInChI=1S/C18H14FN3O2S2/c1-12-11-25-18-20-17(10-22(12)18)13-5-7-15(8-6-13)21-26(23,24)16-4-2-3-14(19)9-16/h2-11,21H,1H3
InChIKeyULMZEDLMEHFUMP-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.31
Rot. Bonds4

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

3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (PubChem CID 7151326) has the molecular formula C18H14FN3O2S2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
PubChem CID7151326
Molecular FormulaC18H14FN3O2S2
Molecular Weight387.46 g/mol
Exact Mass387.05
IUPAC Name3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCc1csc2nc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cn12
InChIInChI=1S/C18H14FN3O2S2/c1-12-11-25-18-20-17(10-22(12)18)13-5-7-15(8-6-13)21-26(23,24)16-4-2-3-14(19)9-16/h2-11,21H,1H3
InChIKeyULMZEDLMEHFUMP-UHFFFAOYSA-N
XLogP4.31
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (CID 7151326) is 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is Cc1csc2nc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cn12.
What is the InChIKey of 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The InChIKey is ULMZEDLMEHFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S2/c1-12-11-25-18-20-17(10-22(12)18)13-5-7-15(8-6-13)21-26(23,24)16-4-2-3-14(19)9-16/h2-11,21H,1H3.
What are the key properties of 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7151326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).