N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide

C22H24Cl2N4O2S — CID 71574208

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C22H24Cl2N4O2S/c23-19-5-1-6-21(22(19)24)28-14-12-27(13-15-28)11-3-10-26-31(29,30)18-7-8-20-17(16-18)4-2-9-25-20/h1-2,4-9,16,26H,3,10-15H2
InChIKeyUNXSKPWKGQDDCI-UHFFFAOYSA-N
MW479.43 g/mol
LogP4.03
Rot. Bonds7

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide (PubChem CID 71574208) has the molecular formula C22H24Cl2N4O2S and a molecular weight of 479.43 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide
PubChem CID71574208
Molecular FormulaC22H24Cl2N4O2S
Molecular Weight479.43 g/mol
Exact Mass478.10
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C22H24Cl2N4O2S/c23-19-5-1-6-21(22(19)24)28-14-12-27(13-15-28)11-3-10-26-31(29,30)18-7-8-20-17(16-18)4-2-9-25-20/h1-2,4-9,16,26H,3,10-15H2
InChIKeyUNXSKPWKGQDDCI-UHFFFAOYSA-N
XLogP4.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide 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

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoline-3-sulfonamide;hydrochloride
CID 57391157
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
N-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 66801179
1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-4-(4-quinolin-6-yltriazol-1-yl)butan-2-ol
CID 122181005
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
CID 11511026
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 42389457
7-chloro-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 66801175
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide
CID 57393877
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
CID 162787951

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide (CID 71574208) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide is O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
The InChIKey is UNXSKPWKGQDDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2S/c23-19-5-1-6-21(22(19)24)28-14-12-27(13-15-28)11-3-10-26-31(29,30)18-7-8-20-17(16-18)4-2-9-25-20/h1-2,4-9,16,26H,3,10-15H2.
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide has a molecular weight of 479.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide is sourced from PubChem (CID 71574208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).