N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C15H15ClFN7O3S — CID 122704432

IUPACN-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc(CCNS(N)(=O)=O)[nH]c12)N(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN7O3S/c16-10-7-8(1-2-11(10)17)24(25)14(18)9-3-5-20-15-13(9)22-12(23-15)4-6-21-28(19,26)27/h1-3,5,7,18,21,25H,4,6H2,(H2,19,26,27)(H,20,22,23)/b18-14-
InChIKeyAAJIHEDLGYFSCN-JXAWBTAJSA-N
MW427.85 g/mol
LogP1.31
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 122704432) has the molecular formula C15H15ClFN7O3S and a molecular weight of 427.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID122704432
Molecular FormulaC15H15ClFN7O3S
Molecular Weight427.85 g/mol
Exact Mass427.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc(CCNS(N)(=O)=O)[nH]c12)N(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN7O3S/c16-10-7-8(1-2-11(10)17)24(25)14(18)9-3-5-20-15-13(9)22-12(23-15)4-6-21-28(19,26)27/h1-3,5,7,18,21,25H,4,6H2,(H2,19,26,27)(H,20,22,23)/b18-14-
InChIKeyAAJIHEDLGYFSCN-JXAWBTAJSA-N
XLogP1.31
TPSA161.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 51.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 122704432) is N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide is [H]/N=C(/c1ccnc2nc(CCNS(N)(=O)=O)[nH]c12)N(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is AAJIHEDLGYFSCN-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H15ClFN7O3S/c16-10-7-8(1-2-11(10)17)24(25)14(18)9-3-5-20-15-13(9)22-12(23-15)4-6-21-28(19,26)27/h1-3,5,7,18,21,25H,4,6H2,(H2,19,26,27)(H,20,22,23)/b18-14-.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 427.85 g/mol, XLogP of 1.31, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 122704432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).