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

C25H24ClN3O4S — CID 55337570

IUPAC2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c1
InChIInChI=1S/C25H24ClN3O4S/c1-2-27-24(30)18-8-5-10-19(15-18)28-25(31)21-16-20(12-13-22(21)26)34(32,33)29-14-6-9-17-7-3-4-11-23(17)29/h3-5,7-8,10-13,15-16H,2,6,9,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyJSNVGJNUTZKCKK-UHFFFAOYSA-N
MW498.00 g/mol
LogP4.48
Rot. Bonds6

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

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide (PubChem CID 55337570) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide
PubChem CID55337570
Molecular FormulaC25H24ClN3O4S
Molecular Weight498.00 g/mol
Exact Mass497.12
IUPAC Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c1
InChIInChI=1S/C25H24ClN3O4S/c1-2-27-24(30)18-8-5-10-19(15-18)28-25(31)21-16-20(12-13-22(21)26)34(32,33)29-14-6-9-17-7-3-4-11-23(17)29/h3-5,7-8,10-13,15-16H,2,6,9,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyJSNVGJNUTZKCKK-UHFFFAOYSA-N
XLogP4.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.00
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
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)benzoate
CID 2342108
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
N-(3-acetylphenyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16552776
ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide (CID 55337570) is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide is CCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide?
The InChIKey is JSNVGJNUTZKCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c1-2-27-24(30)18-8-5-10-19(15-18)28-25(31)21-16-20(12-13-22(21)26)34(32,33)29-14-6-9-17-7-3-4-11-23(17)29/h3-5,7-8,10-13,15-16H,2,6,9,14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide?
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide has a molecular weight of 498.00 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55337570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).