2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

C18H13Cl2N3O2S2 — CID 41427562

IUPAC2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCc1csc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)cn12
InChIInChI=1S/C18H13Cl2N3O2S2/c1-11-10-26-18-21-16(9-23(11)18)12-2-5-14(6-3-12)22-27(24,25)17-8-13(19)4-7-15(17)20/h2-10,22H,1H3
InChIKeySFHWWLUAMZQISF-UHFFFAOYSA-N
MW438.36 g/mol
LogP5.48
Rot. Bonds4

About 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (PubChem CID 41427562) has the molecular formula C18H13Cl2N3O2S2 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
PubChem CID41427562
Molecular FormulaC18H13Cl2N3O2S2
Molecular Weight438.36 g/mol
Exact Mass436.98
IUPAC Name2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCc1csc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)cn12
InChIInChI=1S/C18H13Cl2N3O2S2/c1-11-10-26-18-21-16(9-23(11)18)12-2-5-14(6-3-12)22-27(24,25)17-8-13(19)4-7-15(17)20/h2-10,22H,1H3
InChIKeySFHWWLUAMZQISF-UHFFFAOYSA-N
XLogP5.48
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 7151333
2-methyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-5-nitrobenzenesulfonamide
CID 41427583
6-(3-chloro-4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115403389
4-chloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506385
2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427635
2,5-dichloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297620
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
CID 7151320
4-tert-butyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40691828
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271784
ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192457
N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-sulfamoylbenzamide
CID 7488144

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (CID 41427562) is 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is Cc1csc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)cn12.
What is the InChIKey of 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The InChIKey is SFHWWLUAMZQISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S2/c1-11-10-26-18-21-16(9-23(11)18)12-2-5-14(6-3-12)22-27(24,25)17-8-13(19)4-7-15(17)20/h2-10,22H,1H3.
What are the key properties of 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide has a molecular weight of 438.36 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41427562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).