sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide

C13H17ClN3NaO5S — CID 88599824

IUPACsodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.NC(=O)CN1CC(O)CC1=O.[Na+]
InChIInChI=1S/C7H7ClNO2S.C6H10N2O3.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;7-5(10)3-8-2-4(9)1-6(8)11;/h2-5H,1H3;4,9H,1-3H2,(H2,7,10);/q-1;;+1
InChIKeyRPVAQIUNOSBFTR-UHFFFAOYSA-N
MW385.81 g/mol
LogP-2.72
Rot. Bonds4

About sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide

sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide (PubChem CID 88599824) has the molecular formula C13H17ClN3NaO5S and a molecular weight of 385.81 g/mol. Its IUPAC name is sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound Namesodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
PubChem CID88599824
Molecular FormulaC13H17ClN3NaO5S
Molecular Weight385.81 g/mol
Exact Mass385.05
IUPAC Namesodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.NC(=O)CN1CC(O)CC1=O.[Na+]
InChIInChI=1S/C7H7ClNO2S.C6H10N2O3.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;7-5(10)3-8-2-4(9)1-6(8)11;/h2-5H,1H3;4,9H,1-3H2,(H2,7,10);/q-1;;+1
InChIKeyRPVAQIUNOSBFTR-UHFFFAOYSA-N
XLogP-2.72
TPSA131.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 5-2.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide (CID 88599824) is sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide is Cc1ccc(S(=O)(=O)[N-]Cl)cc1.NC(=O)CN1CC(O)CC1=O.[Na+].
What is the InChIKey of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is RPVAQIUNOSBFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO2S.C6H10N2O3.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;7-5(10)3-8-2-4(9)1-6(8)11;/h2-5H,1H3;4,9H,1-3H2,(H2,7,10);/q-1;;+1.
What are the key properties of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide?
sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 385.81 g/mol, XLogP of -2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 88599824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).