3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide

C18H15F2N3O3S — CID 55376371

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H15F2N3O3S/c19-14-7-6-13(11-15(14)20)27(25,26)21-10-9-18(24)23-17-8-5-12-3-1-2-4-16(12)22-17/h1-8,11,21H,9-10H2,(H,22,23,24)
InChIKeyDWCTUCRVYXQWQN-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.82
Rot. Bonds6

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide (PubChem CID 55376371) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide
PubChem CID55376371
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H15F2N3O3S/c19-14-7-6-13(11-15(14)20)27(25,26)21-10-9-18(24)23-17-8-5-12-3-1-2-4-16(12)22-17/h1-8,11,21H,9-10H2,(H,22,23,24)
InChIKeyDWCTUCRVYXQWQN-UHFFFAOYSA-N
XLogP2.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide
CID 24601096
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 55495982
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 27698576
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide (CID 55376371) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc2ccccc2n1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide?
The InChIKey is DWCTUCRVYXQWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c19-14-7-6-13(11-15(14)20)27(25,26)21-10-9-18(24)23-17-8-5-12-3-1-2-4-16(12)22-17/h1-8,11,21H,9-10H2,(H,22,23,24).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide has a molecular weight of 391.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide is sourced from PubChem (CID 55376371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).