4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide

C19H19Cl2N3O2S — CID 42743680

IUPAC4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O2S/c20-14-3-6-16(7-4-14)27(25,26)24-11-2-1-10-22-18-9-12-23-19-13-15(21)5-8-17(18)19/h3-9,12-13,24H,1-2,10-11H2,(H,22,23)
InChIKeyJMOCOTZEGBONCH-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.71
Rot. Bonds8

About 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide

4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide (PubChem CID 42743680) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide
PubChem CID42743680
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC Name4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O2S/c20-14-3-6-16(7-4-14)27(25,26)24-11-2-1-10-22-18-9-12-23-19-13-15(21)5-8-17(18)19/h3-9,12-13,24H,1-2,10-11H2,(H,22,23)
InChIKeyJMOCOTZEGBONCH-UHFFFAOYSA-N
XLogP4.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide (CID 42743680) is 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide is O=S(=O)(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide?
The InChIKey is JMOCOTZEGBONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c20-14-3-6-16(7-4-14)27(25,26)24-11-2-1-10-22-18-9-12-23-19-13-15(21)5-8-17(18)19/h3-9,12-13,24H,1-2,10-11H2,(H,22,23).
What are the key properties of 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide?
4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide has a molecular weight of 424.35 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzenesulfonamide is sourced from PubChem (CID 42743680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).