3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide

C24H24ClN3O5S2 — CID 17225798

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H24ClN3O5S2/c25-19-7-11-21(12-8-19)34(30,31)26-16-15-24(29)27-20-9-13-22(14-10-20)35(32,33)28-17-3-5-18-4-1-2-6-23(18)28/h1-2,4,6-14,26H,3,5,15-17H2,(H,27,29)
InChIKeyVIFIHOCWKORUQM-UHFFFAOYSA-N
MW534.06 g/mol
LogP3.79
Rot. Bonds8

About 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide (PubChem CID 17225798) has the molecular formula C24H24ClN3O5S2 and a molecular weight of 534.06 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
PubChem CID17225798
Molecular FormulaC24H24ClN3O5S2
Molecular Weight534.06 g/mol
Exact Mass533.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H24ClN3O5S2/c25-19-7-11-21(12-8-19)34(30,31)26-16-15-24(29)27-20-9-13-22(14-10-20)35(32,33)28-17-3-5-18-4-1-2-6-23(18)28/h1-2,4,6-14,26H,3,5,15-17H2,(H,27,29)
InChIKeyVIFIHOCWKORUQM-UHFFFAOYSA-N
XLogP3.79
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 28557580
N-[1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 43873922
1-(3,4-dichlorophenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea
CID 25237380

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide (CID 17225798) is 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
The InChIKey is VIFIHOCWKORUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5S2/c25-19-7-11-21(12-8-19)34(30,31)26-16-15-24(29)27-20-9-13-22(14-10-20)35(32,33)28-17-3-5-18-4-1-2-6-23(18)28/h1-2,4,6-14,26H,3,5,15-17H2,(H,27,29).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide has a molecular weight of 534.06 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 17225798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).