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

C15H9BrClF3N4O3S — CID 110208474

IUPACN'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C15H9BrClF3N4O3S/c16-9-1-3-10(4-2-9)28(26,27)23-22-14(25)12-7-24-6-8(15(18,19)20)5-11(17)13(24)21-12/h1-7,23H,(H,22,25)
InChIKeyXNEZAMVPCHIJPM-UHFFFAOYSA-N
MW497.68 g/mol
LogP3.39
Rot. Bonds4

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

N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (PubChem CID 110208474) has the molecular formula C15H9BrClF3N4O3S and a molecular weight of 497.68 g/mol. Its IUPAC name is N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
PubChem CID110208474
Molecular FormulaC15H9BrClF3N4O3S
Molecular Weight497.68 g/mol
Exact Mass495.92
IUPAC NameN'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C15H9BrClF3N4O3S/c16-9-1-3-10(4-2-9)28(26,27)23-22-14(25)12-7-24-6-8(15(18,19)20)5-11(17)13(24)21-12/h1-7,23H,(H,22,25)
InChIKeyXNEZAMVPCHIJPM-UHFFFAOYSA-N
XLogP3.39
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 53.39
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

8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208487
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
N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide
CID 87986810
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 124551745
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 N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The IUPAC name of N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide (CID 110208474) is N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
The InChIKey is XNEZAMVPCHIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF3N4O3S/c16-9-1-3-10(4-2-9)28(26,27)23-22-14(25)12-7-24-6-8(15(18,19)20)5-11(17)13(24)21-12/h1-7,23H,(H,22,25).
What are the key properties of N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide?
N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide has a molecular weight of 497.68 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide is sourced from PubChem (CID 110208474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).