6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C23H28ClN3O5S — CID 22016941

IUPAC6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C(=O)N1CCCC(CO)C1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H28ClN3O5S/c1-15(22(29)26-9-2-3-16(13-26)14-28)27-10-8-21(23(27)30)25-33(31,32)20-7-5-17-11-19(24)6-4-18(17)12-20/h4-7,11-12,15-16,21,25,28H,2-3,8-10,13-14H2,1H3
InChIKeyFIENSKQWHRUDFQ-UHFFFAOYSA-N
MW494.01 g/mol
LogP1.99
Rot. Bonds6

About 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 22016941) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID22016941
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C(=O)N1CCCC(CO)C1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H28ClN3O5S/c1-15(22(29)26-9-2-3-16(13-26)14-28)27-10-8-21(23(27)30)25-33(31,32)20-7-5-17-11-19(24)6-4-18(17)12-20/h4-7,11-12,15-16,21,25,28H,2-3,8-10,13-14H2,1H3
InChIKeyFIENSKQWHRUDFQ-UHFFFAOYSA-N
XLogP1.99
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3S)-1-[(2S)-1-(3-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329814
6-chloro-N-[(3S)-1-[(2S)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329841
6-chloro-N-[1-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91252993
[(3S)-1-[(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoyl]piperidin-3-yl]carbamic acid
CID 69329692
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
1-[(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide
CID 69331514
6-chloro-N-[1-[(2S)-1-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69339268
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-[1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017064
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-[1-[(2S)-1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91087221
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 22016941) is 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is CC(C(=O)N1CCCC(CO)C1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is FIENSKQWHRUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-15(22(29)26-9-2-3-16(13-26)14-28)27-10-8-21(23(27)30)25-33(31,32)20-7-5-17-11-19(24)6-4-18(17)12-20/h4-7,11-12,15-16,21,25,28H,2-3,8-10,13-14H2,1H3.
What are the key properties of 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 494.01 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22016941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).