8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide

C15H9ClF4N4O3S — CID 110208487

IUPAC8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C15H9ClF4N4O3S/c16-11-5-8(15(18,19)20)6-24-7-12(21-13(11)24)14(25)22-23-28(26,27)10-3-1-9(17)2-4-10/h1-7,23H,(H,22,25)
InChIKeyQVNQQFULLPUUSC-UHFFFAOYSA-N
MW436.77 g/mol
LogP2.77
Rot. Bonds4

About 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide

8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (PubChem CID 110208487) has the molecular formula C15H9ClF4N4O3S and a molecular weight of 436.77 g/mol. Its IUPAC name is 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
PubChem CID110208487
Molecular FormulaC15H9ClF4N4O3S
Molecular Weight436.77 g/mol
Exact Mass436.00
IUPAC Name8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C15H9ClF4N4O3S/c16-11-5-8(15(18,19)20)6-24-7-12(21-13(11)24)14(25)22-23-28(26,27)10-3-1-9(17)2-4-10/h1-7,23H,(H,22,25)
InChIKeyQVNQQFULLPUUSC-UHFFFAOYSA-N
XLogP2.77
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208474
8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208477
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride
CID 162331453
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2796284
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110208453
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 90900083
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
CID 4729924
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 59377305
6,8-dichloro-N-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56689841

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The IUPAC name of 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (CID 110208487) is 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.
What is the SMILES notation for 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The canonical SMILES for 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The InChIKey is QVNQQFULLPUUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4O3S/c16-11-5-8(15(18,19)20)6-24-7-12(21-13(11)24)14(25)22-23-28(26,27)10-3-1-9(17)2-4-10/h1-7,23H,(H,22,25).
What are the key properties of 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide has a molecular weight of 436.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is sourced from PubChem (CID 110208487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).