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

C20H22ClN3O3S — CID 42743689

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-27-16-5-7-17(8-6-16)28(25,26)24-12-3-2-11-22-19-10-13-23-20-14-15(21)4-9-18(19)20/h4-10,13-14,24H,2-3,11-12H2,1H3,(H,22,23)
InChIKeyDBGSOWKGUURCEP-UHFFFAOYSA-N
MW419.93 g/mol
LogP4.07
Rot. Bonds9

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

N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide (PubChem CID 42743689) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide
PubChem CID42743689
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-27-16-5-7-17(8-6-16)28(25,26)24-12-3-2-11-22-19-10-13-23-20-14-15(21)4-9-18(19)20/h4-10,13-14,24H,2-3,11-12H2,1H3,(H,22,23)
InChIKeyDBGSOWKGUURCEP-UHFFFAOYSA-N
XLogP4.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
US9663498, Example 31
CID 118181414
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181460
7-(4-Chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 66757616
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 23275458
7-chloro-N-[[2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819805
7-chloro-N-[[3-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819806
N-[5-(5-chloro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457264

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide (CID 42743689) is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide?
The InChIKey is DBGSOWKGUURCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-27-16-5-7-17(8-6-16)28(25,26)24-12-3-2-11-22-19-10-13-23-20-14-15(21)4-9-18(19)20/h4-10,13-14,24H,2-3,11-12H2,1H3,(H,22,23).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide?
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide has a molecular weight of 419.93 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 42743689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).