N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide

C25H24ClN5O2S — CID 156767722

IUPACN-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCC1CCN(c2cnnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)CC1
InChIInChI=1S/C25H24ClN5O2S/c1-17-9-11-31(12-10-17)24-16-28-29-22-8-7-18(13-21(22)24)19-14-23(25(26)27-15-19)30-34(32,33)20-5-3-2-4-6-20/h2-8,13-17,30H,9-12H2,1H3
InChIKeyIUXIMEHDUBJIOC-UHFFFAOYSA-N
MW494.02 g/mol
LogP5.38
Rot. Bonds5

About N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 156767722) has the molecular formula C25H24ClN5O2S and a molecular weight of 494.02 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID156767722
Molecular FormulaC25H24ClN5O2S
Molecular Weight494.02 g/mol
Exact Mass493.13
IUPAC NameN-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCC1CCN(c2cnnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)CC1
InChIInChI=1S/C25H24ClN5O2S/c1-17-9-11-31(12-10-17)24-16-28-29-22-8-7-18(13-21(22)24)19-14-23(25(26)27-15-19)30-34(32,33)20-5-3-2-4-6-20/h2-8,13-17,30H,9-12H2,1H3
InChIKeyIUXIMEHDUBJIOC-UHFFFAOYSA-N
XLogP5.38
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.02
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]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-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 156767722) is N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide is CC1CCN(c2cnnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)CC1.
What is the InChIKey of N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is IUXIMEHDUBJIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2S/c1-17-9-11-31(12-10-17)24-16-28-29-22-8-7-18(13-21(22)24)19-14-23(25(26)27-15-19)30-34(32,33)20-5-3-2-4-6-20/h2-8,13-17,30H,9-12H2,1H3.
What are the key properties of N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 494.02 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 156767722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).