N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide

C15H22N2O5S — CID 91784135

IUPACN-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide
SMILESCCO[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1O
InChIInChI=1S/C15H22N2O5S/c1-3-22-14-10-17(9-13(14)18)15(19)11-5-7-12(8-6-11)16-23(20,21)4-2/h5-8,13-14,16,18H,3-4,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyYIVAAGHUOSOLTM-KBPBESRZSA-N
MW342.42 g/mol
LogP0.67
Rot. Bonds6

About N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide

N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide (PubChem CID 91784135) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide
PubChem CID91784135
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide
SMILESCCO[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1O
InChIInChI=1S/C15H22N2O5S/c1-3-22-14-10-17(9-13(14)18)15(19)11-5-7-12(8-6-11)16-23(20,21)4-2/h5-8,13-14,16,18H,3-4,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyYIVAAGHUOSOLTM-KBPBESRZSA-N
XLogP0.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-[4-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carbonyl]phenyl]ethanesulfonamide
CID 70708027
N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
CID 70728076
N-[4-[(1S,5R)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]ethanesulfonamide
CID 133260607
(3-ethoxyazetidin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 136545401
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 154891022
ethyl 2-[4-(ethylsulfonylamino)phenyl]-2-oxoacetate
CID 55017437
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 79406673
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119539774

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide (CID 91784135) is N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide is CCO[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1O.
What is the InChIKey of N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide?
The InChIKey is YIVAAGHUOSOLTM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-22-14-10-17(9-13(14)18)15(19)11-5-7-12(8-6-11)16-23(20,21)4-2/h5-8,13-14,16,18H,3-4,9-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide?
N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 91784135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).