N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide

C17H18N4O4S — CID 16962560

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCc2cn3ccccc3n2)c1C
InChIInChI=1S/C17H18N4O4S/c1-12-9-15(21(22)23)10-16(13(12)2)26(24,25)18-7-6-14-11-20-8-4-3-5-17(20)19-14/h3-5,8-11,18H,6-7H2,1-2H3
InChIKeyIBKGHMOGVQQYAW-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.38
Rot. Bonds6

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 16962560) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
PubChem CID16962560
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCc2cn3ccccc3n2)c1C
InChIInChI=1S/C17H18N4O4S/c1-12-9-15(21(22)23)10-16(13(12)2)26(24,25)18-7-6-14-11-20-8-4-3-5-17(20)19-14/h3-5,8-11,18H,6-7H2,1-2H3
InChIKeyIBKGHMOGVQQYAW-UHFFFAOYSA-N
XLogP2.38
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.38
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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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 31843872
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 3367442
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 7150797
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide
CID 171909142
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 7150777
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
CID 133436471
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4,6-dimethylpyrimidin-2-amine
CID 31537504
2,3-dimethyl-N-[3-(methylamino)propyl]-5-nitrobenzenesulfonamide;hydrochloride
CID 119965087
N-(2-cyanoethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 55023407
N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 7150790
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide (CID 16962560) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCc2cn3ccccc3n2)c1C.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is IBKGHMOGVQQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-12-9-15(21(22)23)10-16(13(12)2)26(24,25)18-7-6-14-11-20-8-4-3-5-17(20)19-14/h3-5,8-11,18H,6-7H2,1-2H3.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.38, 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)-2,3-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 16962560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).