4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide

C30H29Cl2N5O3S — CID 146206970

IUPAC4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2Cl)cc1
InChIInChI=1S/C30H29Cl2N5O3S/c1-33-15-18-36-41(38,39)20-11-9-19(10-12-20)21-5-3-6-22(27(21)31)23-7-4-8-24(28(23)32)26-14-13-25(30(37-26)40-2)29-34-16-17-35-29/h3-14,33,36H,15-18H2,1-2H3,(H,34,35)
InChIKeyYCJAPBCZUBJKSV-UHFFFAOYSA-N
MW610.57 g/mol
LogP5.25
Rot. Bonds10

About 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide

4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 146206970) has the molecular formula C30H29Cl2N5O3S and a molecular weight of 610.57 g/mol. Its IUPAC name is 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID146206970
Molecular FormulaC30H29Cl2N5O3S
Molecular Weight610.57 g/mol
Exact Mass609.14
IUPAC Name4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2Cl)cc1
InChIInChI=1S/C30H29Cl2N5O3S/c1-33-15-18-36-41(38,39)20-11-9-19(10-12-20)21-5-3-6-22(27(21)31)23-7-4-8-24(28(23)32)26-14-13-25(30(37-26)40-2)29-34-16-17-35-29/h3-14,33,36H,15-18H2,1-2H3,(H,34,35)
InChIKeyYCJAPBCZUBJKSV-UHFFFAOYSA-N
XLogP5.25
TPSA104.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]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 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 146206970) is 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1ccc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2Cl)cc1.
What is the InChIKey of 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is YCJAPBCZUBJKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N5O3S/c1-33-15-18-36-41(38,39)20-11-9-19(10-12-20)21-5-3-6-22(27(21)31)23-7-4-8-24(28(23)32)26-14-13-25(30(37-26)40-2)29-34-16-17-35-29/h3-14,33,36H,15-18H2,1-2H3,(H,34,35).
What are the key properties of 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide?
4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 610.57 g/mol, XLogP of 5.25, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 146206970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).