2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide

C15H18N4O4S — CID 71870924

IUPAC2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C2
InChIInChI=1S/C15H18N4O4S/c1-10-7-13(19(20)21)4-5-14(10)24(22,23)17-12-3-6-15-16-11(2)8-18(15)9-12/h4-5,7-8,12,17H,3,6,9H2,1-2H3
InChIKeyNAGAFWXGMZERHU-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.70
Rot. Bonds4

About 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide

2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide (PubChem CID 71870924) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide
PubChem CID71870924
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C2
InChIInChI=1S/C15H18N4O4S/c1-10-7-13(19(20)21)4-5-14(10)24(22,23)17-12-3-6-15-16-11(2)8-18(15)9-12/h4-5,7-8,12,17H,3,6,9H2,1-2H3
InChIKeyNAGAFWXGMZERHU-UHFFFAOYSA-N
XLogP1.70
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.70
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

4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
CID 97102028
3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide
CID 71870926
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62380980
2-methyl-4-nitro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63663528
(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 97241483
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 71926432
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
4-cyano-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
CID 75434741
N-[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-methyl-4-nitrobenzenesulfonamide
CID 97003937
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
N-cyclobutyl-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62413872

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide (CID 71870924) is 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide is Cc1cn2c(n1)CCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C2.
What is the InChIKey of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide?
The InChIKey is NAGAFWXGMZERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-7-13(19(20)21)4-5-14(10)24(22,23)17-12-3-6-15-16-11(2)8-18(15)9-12/h4-5,7-8,12,17H,3,6,9H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide?
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 71870924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).