N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

C24H22ClN3O4S — CID 26114555

IUPACN-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c1
InChIInChI=1S/C24H22ClN3O4S/c1-16(29)26-18-8-4-9-19(14-18)27-24(30)21-15-20(11-12-22(21)25)33(31,32)28-13-5-7-17-6-2-3-10-23(17)28/h2-4,6,8-12,14-15H,5,7,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyDKJCFCADRRROKS-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.69
Rot. Bonds5

About N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (PubChem CID 26114555) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
PubChem CID26114555
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC NameN-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c1
InChIInChI=1S/C24H22ClN3O4S/c1-16(29)26-18-8-4-9-19(14-18)27-24(30)21-15-20(11-12-22(21)25)33(31,32)28-13-5-7-17-6-2-3-10-23(17)28/h2-4,6,8-12,14-15H,5,7,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyDKJCFCADRRROKS-UHFFFAOYSA-N
XLogP4.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide
CID 55337570
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
1-(3,4-dichlorophenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea
CID 25237380
N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-methyl-2-nitrobenzamide
CID 23120438
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-nitrobenzamide
CID 23119858
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
CID 4176225
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chloro-5-nitrobenzamide
CID 16825796
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (CID 26114555) is N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The InChIKey is DKJCFCADRRROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-16(29)26-18-8-4-9-19(14-18)27-24(30)21-15-20(11-12-22(21)25)33(31,32)28-13-5-7-17-6-2-3-10-23(17)28/h2-4,6,8-12,14-15H,5,7,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide has a molecular weight of 483.98 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is sourced from PubChem (CID 26114555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).