N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide

C24H26N2O5S — CID 165042728

IUPACN-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
SMILESC[C@H](O)COc1ccccc1NS(=O)(=O)c1ccc(CC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18(27)17-31-24-7-3-2-6-23(24)26-32(29,30)22-12-9-19(10-13-22)15-21(28)11-8-20-5-4-14-25-16-20/h2-7,9-10,12-14,16,18,26-27H,8,11,15,17H2,1H3/t18-/m0/s1
InChIKeyOJVHHGHKWTYEIO-SFHVURJKSA-N
MW454.55 g/mol
LogP3.39
Rot. Bonds11

About N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide

N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide (PubChem CID 165042728) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
PubChem CID165042728
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
SMILESC[C@H](O)COc1ccccc1NS(=O)(=O)c1ccc(CC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18(27)17-31-24-7-3-2-6-23(24)26-32(29,30)22-12-9-19(10-13-22)15-21(28)11-8-20-5-4-14-25-16-20/h2-7,9-10,12-14,16,18,26-27H,8,11,15,17H2,1H3/t18-/m0/s1
InChIKeyOJVHHGHKWTYEIO-SFHVURJKSA-N
XLogP3.39
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 158464067
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 158304763
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
1-[4-[[2-(4-methylsulfonylphenyl)phenoxy]methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147923950
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
1-[4-[(2-chlorophenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147492426
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
CID 159742986
5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 147240975
1-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147366026
2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
1-[4-[(3-fluoro-2-phenylphenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 157283827

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide?
The IUPAC name of N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide (CID 165042728) is N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide is C[C@H](O)COc1ccccc1NS(=O)(=O)c1ccc(CC(=O)CCc2cccnc2)cc1.
What is the InChIKey of N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide?
The InChIKey is OJVHHGHKWTYEIO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18(27)17-31-24-7-3-2-6-23(24)26-32(29,30)22-12-9-19(10-13-22)15-21(28)11-8-20-5-4-14-25-16-20/h2-7,9-10,12-14,16,18,26-27H,8,11,15,17H2,1H3/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide?
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide has a molecular weight of 454.55 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 165042728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).