N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride

C19H22FN3O3S — CID 155926229

IUPACN-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride
SMILESO=C1CC[C@H](CCN(Cc2ccccc2)S(=O)(=O)F)N1Cc1ccncc1
InChIInChI=1S/C19H22FN3O3S/c20-27(25,26)22(14-16-4-2-1-3-5-16)13-10-18-6-7-19(24)23(18)15-17-8-11-21-12-9-17/h1-5,8-9,11-12,18H,6-7,10,13-15H2/t18-/m1/s1
InChIKeyRZMYAGHPEVLDHE-GOSISDBHSA-N
MW391.47 g/mol
LogP2.68
Rot. Bonds8

About N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride

N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride (PubChem CID 155926229) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride
PubChem CID155926229
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride
SMILESO=C1CC[C@H](CCN(Cc2ccccc2)S(=O)(=O)F)N1Cc1ccncc1
InChIInChI=1S/C19H22FN3O3S/c20-27(25,26)22(14-16-4-2-1-3-5-16)13-10-18-6-7-19(24)23(18)15-17-8-11-21-12-9-17/h1-5,8-9,11-12,18H,6-7,10,13-15H2/t18-/m1/s1
InChIKeyRZMYAGHPEVLDHE-GOSISDBHSA-N
XLogP2.68
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride?
The IUPAC name of N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride (CID 155926229) is N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride.
What is the SMILES notation for N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride?
The canonical SMILES for N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride is O=C1CC[C@H](CCN(Cc2ccccc2)S(=O)(=O)F)N1Cc1ccncc1.
What is the InChIKey of N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride?
The InChIKey is RZMYAGHPEVLDHE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-27(25,26)22(14-16-4-2-1-3-5-16)13-10-18-6-7-19(24)23(18)15-17-8-11-21-12-9-17/h1-5,8-9,11-12,18H,6-7,10,13-15H2/t18-/m1/s1.
What are the key properties of N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride?
N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride has a molecular weight of 391.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride is sourced from PubChem (CID 155926229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).