N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide

C23H26ClN3O4S — CID 69329879

IUPACN-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide
SMILESC[C@H](C(=O)N1C[C@H]2CC[C@@H]1C2)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H26ClN3O4S/c1-14(22(28)27-13-15-2-6-19(27)10-15)26-9-8-21(23(26)29)25-32(30,31)20-7-4-16-11-18(24)5-3-17(16)12-20/h3-5,7,11-12,14-15,19,21,25H,2,6,8-10,13H2,1H3/t14-,15+,19-,21-/m1/s1
InChIKeySWVCZAMRDHLRKK-OGZLKCIRSA-N
MW476.00 g/mol
LogP2.77
Rot. Bonds5

About N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide

N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide (PubChem CID 69329879) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide
PubChem CID69329879
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide
SMILESC[C@H](C(=O)N1C[C@H]2CC[C@@H]1C2)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H26ClN3O4S/c1-14(22(28)27-13-15-2-6-19(27)10-15)26-9-8-21(23(26)29)25-32(30,31)20-7-4-16-11-18(24)5-3-17(16)12-20/h3-5,7,11-12,14-15,19,21,25H,2,6,8-10,13H2,1H3/t14-,15+,19-,21-/m1/s1
InChIKeySWVCZAMRDHLRKK-OGZLKCIRSA-N
XLogP2.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide
CID 22016904
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635
6-chloro-N-[1-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91002464
6-chloro-N-[(3S)-1-[(2S)-1-(2,5-dihydropyrrol-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329224
6-chloro-N-[1-[(2S)-1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91066937
6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329929
6-chloro-N-[1-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91252993
(2S)-1-[(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoyl]pyrrolidine-2-carboxamide
CID 69329257
6-chloro-N-[1-[1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017064
tert-butyl 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoate
CID 22017175
6-chloro-N-[1-[(2S)-1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91087221
6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22016941

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide?
The IUPAC name of N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide (CID 69329879) is N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide is C[C@H](C(=O)N1C[C@H]2CC[C@@H]1C2)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide?
The InChIKey is SWVCZAMRDHLRKK-OGZLKCIRSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-14(22(28)27-13-15-2-6-19(27)10-15)26-9-8-21(23(26)29)25-32(30,31)20-7-4-16-11-18(24)5-3-17(16)12-20/h3-5,7,11-12,14-15,19,21,25H,2,6,8-10,13H2,1H3/t14-,15+,19-,21-/m1/s1.
What are the key properties of N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide?
N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide has a molecular weight of 476.00 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2R)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide is sourced from PubChem (CID 69329879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).