N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline

C18H17ClN6O4S — CID 5061228

IUPACN-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C18H17ClN6O4S/c19-18-16(24-10-2-1-5-17(24)21-18)12-20-22-14-7-6-13(11-15(14)25(26)27)30(28,29)23-8-3-4-9-23/h1-2,5-7,10-12,22H,3-4,8-9H2
InChIKeyVFJGULBBJCTCLB-UHFFFAOYSA-N
MW448.89 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline

N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline (PubChem CID 5061228) has the molecular formula C18H17ClN6O4S and a molecular weight of 448.89 g/mol. Its IUPAC name is N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
PubChem CID5061228
Molecular FormulaC18H17ClN6O4S
Molecular Weight448.89 g/mol
Exact Mass448.07
IUPAC NameN-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C18H17ClN6O4S/c19-18-16(24-10-2-1-5-17(24)21-18)12-20-22-14-7-6-13(11-15(14)25(26)27)30(28,29)23-8-3-4-9-23/h1-2,5-7,10-12,22H,3-4,8-9H2
InChIKeyVFJGULBBJCTCLB-UHFFFAOYSA-N
XLogP3.13
TPSA122.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]phenol
CID 4225514
N-[(2-bromophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 5033961
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 6137952
2-nitro-N-(pyridin-3-ylmethylideneamino)-4-pyrrolidin-1-ylsulfonylaniline
CID 3469162
N-[(2,6-dichlorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5113890
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 9014297
3-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 3970976
N-[(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4106283
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 3545191
methyl 4-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]benzoate
CID 4222783
1-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135716394
4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6105148

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline (CID 5061228) is N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline is O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=Cc1c(Cl)nc2ccccn12.
What is the InChIKey of N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is VFJGULBBJCTCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O4S/c19-18-16(24-10-2-1-5-17(24)21-18)12-20-22-14-7-6-13(11-15(14)25(26)27)30(28,29)23-8-3-4-9-23/h1-2,5-7,10-12,22H,3-4,8-9H2.
What are the key properties of N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline?
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 448.89 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 5061228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).