N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide

C17H18N4O5S — CID 59710545

IUPACN-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)[C@]1(C)NC(=O)NC1=O
InChIInChI=1S/C17H18N4O5S/c1-11(17(2)15(22)19-16(23)20-17)21-27(24,25)13-8-6-12(7-9-13)26-14-5-3-4-10-18-14/h3-11,21H,1-2H3,(H2,19,20,22,23)/t11-,17+/m1/s1
InChIKeyXZXHZOJPYUHHHY-DIFFPNOSSA-N
MW390.42 g/mol
LogP1.14
Rot. Bonds6

About N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide

N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide (PubChem CID 59710545) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide
PubChem CID59710545
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)[C@]1(C)NC(=O)NC1=O
InChIInChI=1S/C17H18N4O5S/c1-11(17(2)15(22)19-16(23)20-17)21-27(24,25)13-8-6-12(7-9-13)26-14-5-3-4-10-18-14/h3-11,21H,1-2H3,(H2,19,20,22,23)/t11-,17+/m1/s1
InChIKeyXZXHZOJPYUHHHY-DIFFPNOSSA-N
XLogP1.14
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide (CID 59710545) is N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)[C@]1(C)NC(=O)NC1=O.
What is the InChIKey of N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide?
The InChIKey is XZXHZOJPYUHHHY-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-11(17(2)15(22)19-16(23)20-17)21-27(24,25)13-8-6-12(7-9-13)26-14-5-3-4-10-18-14/h3-11,21H,1-2H3,(H2,19,20,22,23)/t11-,17+/m1/s1.
What are the key properties of N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide?
N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide has a molecular weight of 390.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide is sourced from PubChem (CID 59710545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).