N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide

C14H16F2N2O2S — CID 56791454

IUPACN-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C14H16F2N2O2S/c1-2-9-18(10-13(15)16)21(19,20)12-7-3-5-11-6-4-8-17-14(11)12/h3-8,13H,2,9-10H2,1H3
InChIKeyAYQXJWZXIRZQPK-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.90
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide

N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide (PubChem CID 56791454) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
PubChem CID56791454
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C14H16F2N2O2S/c1-2-9-18(10-13(15)16)21(19,20)12-7-3-5-11-6-4-8-17-14(11)12/h3-8,13H,2,9-10H2,1H3
InChIKeyAYQXJWZXIRZQPK-UHFFFAOYSA-N
XLogP2.90
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
CID 23392955
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 107493804
N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 4576584
N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbutanamide
CID 7573869
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N-butylquinoline-8-sulfonamide
CID 2068304
2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769392
N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide
CID 14326802
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide (CID 56791454) is N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide is CCCN(CC(F)F)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide?
The InChIKey is AYQXJWZXIRZQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-2-9-18(10-13(15)16)21(19,20)12-7-3-5-11-6-4-8-17-14(11)12/h3-8,13H,2,9-10H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide?
N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide is sourced from PubChem (CID 56791454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).