2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide

C22H18Cl2N2O3S — CID 17320187

IUPAC2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H18Cl2N2O3S/c23-16-7-12-20(24)19(14-16)22(27)25-17-8-10-18(11-9-17)30(28,29)26-13-3-5-15-4-1-2-6-21(15)26/h1-2,4,6-12,14H,3,5,13H2,(H,25,27)
InChIKeyLEXVIHUVQFMZMT-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.39
Rot. Bonds4

About 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide

2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide (PubChem CID 17320187) has the molecular formula C22H18Cl2N2O3S and a molecular weight of 461.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
PubChem CID17320187
Molecular FormulaC22H18Cl2N2O3S
Molecular Weight461.37 g/mol
Exact Mass460.04
IUPAC Name2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H18Cl2N2O3S/c23-16-7-12-20(24)19(14-16)22(27)25-17-8-10-18(11-9-17)30(28,29)26-13-3-5-15-4-1-2-6-21(15)26/h1-2,4,6-12,14H,3,5,13H2,(H,25,27)
InChIKeyLEXVIHUVQFMZMT-UHFFFAOYSA-N
XLogP5.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
1-(3,4-dichlorophenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea
CID 25237380
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-chloro-2-nitrobenzamide
CID 16825795
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2,4-dichloro-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]benzamide
CID 3521037
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chloro-5-nitrobenzamide
CID 16825796
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide
CID 55337570

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide (CID 17320187) is 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide?
The InChIKey is LEXVIHUVQFMZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3S/c23-16-7-12-20(24)19(14-16)22(27)25-17-8-10-18(11-9-17)30(28,29)26-13-3-5-15-4-1-2-6-21(15)26/h1-2,4,6-12,14H,3,5,13H2,(H,25,27).
What are the key properties of 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide?
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide has a molecular weight of 461.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 17320187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).