3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide

C18H17N3O3S — CID 52553671

IUPAC3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H17N3O3S/c22-18(10-11-20-25(23,24)16-7-2-1-3-8-16)21-15-12-14-6-4-5-9-17(14)19-13-15/h1-9,12-13,20H,10-11H2,(H,21,22)
InChIKeyVJUBLEWUAZIXRW-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.54
Rot. Bonds6

About 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide

3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide (PubChem CID 52553671) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
PubChem CID52553671
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H17N3O3S/c22-18(10-11-20-25(23,24)16-7-2-1-3-8-16)21-15-12-14-6-4-5-9-17(14)19-13-15/h1-9,12-13,20H,10-11H2,(H,21,22)
InChIKeyVJUBLEWUAZIXRW-UHFFFAOYSA-N
XLogP2.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
CID 29330631
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009303
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 112764595
2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
CID 61329390
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide (CID 52553671) is 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide?
The InChIKey is VJUBLEWUAZIXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-18(10-11-20-25(23,24)16-7-2-1-3-8-16)21-15-12-14-6-4-5-9-17(14)19-13-15/h1-9,12-13,20H,10-11H2,(H,21,22).
What are the key properties of 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide?
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide has a molecular weight of 355.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 52553671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).