N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide

C17H17N5O4S — CID 10271535

IUPACN,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide
SMILESCc1ccc2ncc(/C=N/N(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2c1
InChIInChI=1S/C17H17N5O4S/c1-12-4-7-17-18-9-15(21(17)11-12)10-19-20(3)27(25,26)16-8-14(22(23)24)6-5-13(16)2/h4-11H,1-3H3/b19-10+
InChIKeyVIAHXCRCCIGLSB-VXLYETTFSA-N
MW387.42 g/mol
LogP2.51
Rot. Bonds5

About N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide

N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide (PubChem CID 10271535) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide
PubChem CID10271535
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide
SMILESCc1ccc2ncc(/C=N/N(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2c1
InChIInChI=1S/C17H17N5O4S/c1-12-4-7-17-18-9-15(21(17)11-12)10-19-20(3)27(25,26)16-8-14(22(23)24)6-5-13(16)2/h4-11H,1-3H3/b19-10+
InChIKeyVIAHXCRCCIGLSB-VXLYETTFSA-N
XLogP2.51
TPSA110.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide (CID 10271535) is N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide is Cc1ccc2ncc(/C=N/N(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2c1.
What is the InChIKey of N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide?
The InChIKey is VIAHXCRCCIGLSB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-12-4-7-17-18-9-15(21(17)11-12)10-19-20(3)27(25,26)16-8-14(22(23)24)6-5-13(16)2/h4-11H,1-3H3/b19-10+.
What are the key properties of N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide?
N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 10271535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).