N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

C21H21N5O2S — CID 11058624

IUPACN-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N(C)c2cccc(N)c2)cc1
InChIInChI=1S/C21H21N5O2S/c1-15-24-20-13-23-11-10-21(20)26(15)14-16-6-8-19(9-7-16)29(27,28)25(2)18-5-3-4-17(22)12-18/h3-13H,14,22H2,1-2H3
InChIKeyAKVZBOMXDOBEDJ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.20
Rot. Bonds5

About N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (PubChem CID 11058624) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
PubChem CID11058624
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N(C)c2cccc(N)c2)cc1
InChIInChI=1S/C21H21N5O2S/c1-15-24-20-13-23-11-10-21(20)26(15)14-16-6-8-19(9-7-16)29(27,28)25(2)18-5-3-4-17(22)12-18/h3-13H,14,22H2,1-2H3
InChIKeyAKVZBOMXDOBEDJ-UHFFFAOYSA-N
XLogP3.20
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide 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-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (CID 11058624) is N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N(C)c2cccc(N)c2)cc1.
What is the InChIKey of N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The InChIKey is AKVZBOMXDOBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-15-24-20-13-23-11-10-21(20)26(15)14-16-6-8-19(9-7-16)29(27,28)25(2)18-5-3-4-17(22)12-18/h3-13H,14,22H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide has a molecular weight of 407.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 11058624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).