4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide

C21H23ClN2O3S — CID 56541471

IUPAC4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCOc1cccc2cccnc12)c1ccc(CCCCl)cc1
InChIInChI=1S/C21H23ClN2O3S/c22-13-2-5-17-9-11-19(12-10-17)28(25,26)24-15-4-16-27-20-8-1-6-18-7-3-14-23-21(18)20/h1,3,6-12,14,24H,2,4-5,13,15-16H2
InChIKeyCCJBPLPAQNCXGC-UHFFFAOYSA-N
MW418.95 g/mol
LogP4.15
Rot. Bonds10

About 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide

4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide (PubChem CID 56541471) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
PubChem CID56541471
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCOc1cccc2cccnc12)c1ccc(CCCCl)cc1
InChIInChI=1S/C21H23ClN2O3S/c22-13-2-5-17-9-11-19(12-10-17)28(25,26)24-15-4-16-27-20-8-1-6-18-7-3-14-23-21(18)20/h1,3,6-12,14,24H,2,4-5,13,15-16H2
InChIKeyCCJBPLPAQNCXGC-UHFFFAOYSA-N
XLogP4.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541607
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102304
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
CID 167874233
4-chloro-2-nitro-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541780
8-(6-chlorohexoxy)quinoline
CID 62228191
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
2-quinolin-8-yloxyethylhydrazine
CID 82126133

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The IUPAC name of 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide (CID 56541471) is 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide is O=S(=O)(NCCCOc1cccc2cccnc12)c1ccc(CCCCl)cc1.
What is the InChIKey of 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The InChIKey is CCJBPLPAQNCXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c22-13-2-5-17-9-11-19(12-10-17)28(25,26)24-15-4-16-27-20-8-1-6-18-7-3-14-23-21(18)20/h1,3,6-12,14,24H,2,4-5,13,15-16H2.
What are the key properties of 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide has a molecular weight of 418.95 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide is sourced from PubChem (CID 56541471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).