4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

C19H14ClFN4O3S2 — CID 55585721

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H14ClFN4O3S2/c20-16-6-1-12(18(26)22-10-14-11-25-7-8-29-19(25)23-14)9-17(16)24-30(27,28)15-4-2-13(21)3-5-15/h1-9,11,24H,10H2,(H,22,26)
InChIKeyUKKDFRJWSSHKSR-UHFFFAOYSA-N
MW464.93 g/mol
LogP3.92
Rot. Bonds6

About 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (PubChem CID 55585721) has the molecular formula C19H14ClFN4O3S2 and a molecular weight of 464.93 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
PubChem CID55585721
Molecular FormulaC19H14ClFN4O3S2
Molecular Weight464.93 g/mol
Exact Mass464.02
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H14ClFN4O3S2/c20-16-6-1-12(18(26)22-10-14-11-25-7-8-29-19(25)23-14)9-17(16)24-30(27,28)15-4-2-13(21)3-5-15/h1-9,11,24H,10H2,(H,22,26)
InChIKeyUKKDFRJWSSHKSR-UHFFFAOYSA-N
XLogP3.92
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 37083906
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
CID 134027697
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 112844279
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 3887000
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55585525
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 166180565
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27773510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (CID 55585721) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is O=C(NCc1cn2ccsc2n1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The InChIKey is UKKDFRJWSSHKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3S2/c20-16-6-1-12(18(26)22-10-14-11-25-7-8-29-19(25)23-14)9-17(16)24-30(27,28)15-4-2-13(21)3-5-15/h1-9,11,24H,10H2,(H,22,26).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide has a molecular weight of 464.93 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is sourced from PubChem (CID 55585721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).