4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine

C18H17ClN4O6S — CID 4804832

IUPAC4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C18H17ClN4O6S/c19-13-1-4-18-20-14(11-21(18)10-13)12-29-17-3-2-15(9-16(17)23(24)25)30(26,27)22-5-7-28-8-6-22/h1-4,9-11H,5-8,12H2
InChIKeyKDFDEGLETLFVPP-UHFFFAOYSA-N
MW452.88 g/mol
LogP2.50
Rot. Bonds6

About 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine

4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine (PubChem CID 4804832) has the molecular formula C18H17ClN4O6S and a molecular weight of 452.88 g/mol. Its IUPAC name is 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine
PubChem CID4804832
Molecular FormulaC18H17ClN4O6S
Molecular Weight452.88 g/mol
Exact Mass452.06
IUPAC Name4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C18H17ClN4O6S/c19-13-1-4-18-20-14(11-21(18)10-13)12-29-17-3-2-15(9-16(17)23(24)25)30(26,27)22-5-7-28-8-6-22/h1-4,9-11H,5-8,12H2
InChIKeyKDFDEGLETLFVPP-UHFFFAOYSA-N
XLogP2.50
TPSA116.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.88
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 71905324
4-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804834
4-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804833
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
1-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine
CID 3941390
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
CID 7229733
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
2-(2-chlorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-thiazole
CID 4825301
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
4-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 4261071
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine (CID 4804832) is 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
The InChIKey is KDFDEGLETLFVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O6S/c19-13-1-4-18-20-14(11-21(18)10-13)12-29-17-3-2-15(9-16(17)23(24)25)30(26,27)22-5-7-28-8-6-22/h1-4,9-11H,5-8,12H2.
What are the key properties of 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine has a molecular weight of 452.88 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine is sourced from PubChem (CID 4804832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).