N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide

C15H14N4O4S — CID 7150768

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H14N4O4S/c20-19(21)13-4-3-5-14(10-13)24(22,23)16-8-7-12-11-18-9-2-1-6-15(18)17-12/h1-6,9-11,16H,7-8H2
InChIKeyCBOKFNMYCJMROU-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.76
Rot. Bonds6

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide (PubChem CID 7150768) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide
PubChem CID7150768
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H14N4O4S/c20-19(21)13-4-3-5-14(10-13)24(22,23)16-8-7-12-11-18-9-2-1-6-15(18)17-12/h1-6,9-11,16H,7-8H2
InChIKeyCBOKFNMYCJMROU-UHFFFAOYSA-N
XLogP1.76
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide (CID 7150768) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cn3ccccc3n2)c1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide?
The InChIKey is CBOKFNMYCJMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c20-19(21)13-4-3-5-14(10-13)24(22,23)16-8-7-12-11-18-9-2-1-6-15(18)17-12/h1-6,9-11,16H,7-8H2.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 7150768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).