2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid

C18H19ClN2O5S — CID 22016962

IUPAC2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C18H19ClN2O5S/c1-2-16(18(23)24)21-8-7-15(17(21)22)20-27(25,26)14-6-4-11-9-13(19)5-3-12(11)10-14/h3-6,9-10,15-16,20H,2,7-8H2,1H3,(H,23,24)
InChIKeyCPESWUXDQLVZKW-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid

2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid (PubChem CID 22016962) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid
PubChem CID22016962
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C18H19ClN2O5S/c1-2-16(18(23)24)21-8-7-15(17(21)22)20-27(25,26)14-6-4-11-9-13(19)5-3-12(11)10-14/h3-6,9-10,15-16,20H,2,7-8H2,1H3,(H,23,24)
InChIKeyCPESWUXDQLVZKW-UHFFFAOYSA-N
XLogP2.24
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.24
H-Bond Donors ≤ 52
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 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid?
The IUPAC name of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid (CID 22016962) is 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid?
The InChIKey is CPESWUXDQLVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-2-16(18(23)24)21-8-7-15(17(21)22)20-27(25,26)14-6-4-11-9-13(19)5-3-12(11)10-14/h3-6,9-10,15-16,20H,2,7-8H2,1H3,(H,23,24).
What are the key properties of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid?
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid has a molecular weight of 410.88 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 22016962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).