6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

C23H28ClN3O4S — CID 22017200

IUPAC6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCCC(C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H28ClN3O4S/c1-2-21(23(29)26-11-4-3-5-12-26)27-13-10-20(22(27)28)25-32(30,31)19-9-7-16-14-18(24)8-6-17(16)15-19/h6-9,14-15,20-21,25H,2-5,10-13H2,1H3
InChIKeySNDFDRWZUPUUSI-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.16
Rot. Bonds6

About 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 22017200) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID22017200
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCCC(C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H28ClN3O4S/c1-2-21(23(29)26-11-4-3-5-12-26)27-13-10-20(22(27)28)25-32(30,31)19-9-7-16-14-18(24)8-6-17(16)15-19/h6-9,14-15,20-21,25H,2-5,10-13H2,1H3
InChIKeySNDFDRWZUPUUSI-UHFFFAOYSA-N
XLogP3.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(alphas,3S)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-N-(1-methylethyl)-N-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-1-pyrrolidineacetamide
CID 9549260
P4 alanylamide pyrrolidin-2-one 49
CID 10152813
6-Chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide
CID 10187006
P4 alanylamide pyrrolidin-2-one 51
CID 10196732
P4 alanylamide pyrrolidin-2-one 50
CID 10311760
P4 alanylamide pyrrolidin-2-one 52
CID 23646123
P4 alanylamide pyrrolidin-2-one 53
CID 23646124
P4 alanylamide pyrrolidin-2-one 54
CID 23646125
6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
CID 23646130
6-Chloro-N-{(3S)-1-[(1S)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
CID 6852168
P4 alanylamide pyrrolidin-2-one 55
CID 23646126
P4 alanylamide pyrrolidin-2-one 36
CID 10128598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 22017200) is 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is CCC(C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is SNDFDRWZUPUUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-2-21(23(29)26-11-4-3-5-12-26)27-13-10-20(22(27)28)25-32(30,31)19-9-7-16-14-18(24)8-6-17(16)15-19/h6-9,14-15,20-21,25H,2-5,10-13H2,1H3.
What are the key properties of 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 478.01 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-oxo-1-(1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22017200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).