N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide

C19H12Cl2N4O2S — CID 164614795

IUPACN-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(Cl)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C19H12Cl2N4O2S/c20-16-11-23-24-17-7-6-12(8-15(16)17)13-9-18(19(21)22-10-13)25-28(26,27)14-4-2-1-3-5-14/h1-11,25H
InChIKeyWEDPRMRYFJNMSG-UHFFFAOYSA-N
MW431.30 g/mol
LogP4.80
Rot. Bonds4

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

N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164614795) has the molecular formula C19H12Cl2N4O2S and a molecular weight of 431.30 g/mol. Its IUPAC name is N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164614795
Molecular FormulaC19H12Cl2N4O2S
Molecular Weight431.30 g/mol
Exact Mass430.01
IUPAC NameN-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(Cl)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C19H12Cl2N4O2S/c20-16-11-23-24-17-7-6-12(8-15(16)17)13-9-18(19(21)22-10-13)25-28(26,27)14-4-2-1-3-5-14/h1-11,25H
InChIKeyWEDPRMRYFJNMSG-UHFFFAOYSA-N
XLogP4.80
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164614795) is N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nncc(Cl)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is WEDPRMRYFJNMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O2S/c20-16-11-23-24-17-7-6-12(8-15(16)17)13-9-18(19(21)22-10-13)25-28(26,27)14-4-2-1-3-5-14/h1-11,25H.
What are the key properties of N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 431.30 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-chlorocinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164614795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).