3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide

C24H21N3O3S — CID 78887682

IUPAC3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)Nc2ccc3ncccc3c2)c1)c1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-17(18-7-3-2-4-8-18)27-31(29,30)22-11-5-9-20(16-22)24(28)26-21-12-13-23-19(15-21)10-6-14-25-23/h2-17,27H,1H3,(H,26,28)
InChIKeyVYGKIIJJSWBQBJ-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.53
Rot. Bonds6

About 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide

3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide (PubChem CID 78887682) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
PubChem CID78887682
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)Nc2ccc3ncccc3c2)c1)c1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-17(18-7-3-2-4-8-18)27-31(29,30)22-11-5-9-20(16-22)24(28)26-21-12-13-23-19(15-21)10-6-14-25-23/h2-17,27H,1H3,(H,26,28)
InChIKeyVYGKIIJJSWBQBJ-UHFFFAOYSA-N
XLogP4.53
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 112830987
N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 26010937
N-quinolin-6-ylbenzamide
CID 833617
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 25362186
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
CID 90075293
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
CID 55784053
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide?
The IUPAC name of 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide (CID 78887682) is 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide?
The canonical SMILES for 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide is CC(NS(=O)(=O)c1cccc(C(=O)Nc2ccc3ncccc3c2)c1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide?
The InChIKey is VYGKIIJJSWBQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-17(18-7-3-2-4-8-18)27-31(29,30)22-11-5-9-20(16-22)24(28)26-21-12-13-23-19(15-21)10-6-14-25-23/h2-17,27H,1H3,(H,26,28).
What are the key properties of 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide?
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide has a molecular weight of 431.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 78887682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).