sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride

C4H11ClNNaO2S — CID 173445243

IUPACsodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride
SMILESCC(C)NS(=O)(=O)CCl.[H-].[Na+]
InChIInChI=1S/C4H10ClNO2S.Na.H/c1-4(2)6-9(7,8)3-5;;/h4,6H,3H2,1-2H3;;/q;+1;-1
InChIKeyLRZLQEBFECUKAP-UHFFFAOYSA-N
MW195.65 g/mol
LogP-2.37
Rot. Bonds3

About sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride

sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride (PubChem CID 173445243) has the molecular formula C4H11ClNNaO2S and a molecular weight of 195.65 g/mol. Its IUPAC name is sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride.

Molecular Properties

Compound Namesodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride
PubChem CID173445243
Molecular FormulaC4H11ClNNaO2S
Molecular Weight195.65 g/mol
Exact Mass195.01
IUPAC Namesodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride
SMILESCC(C)NS(=O)(=O)CCl.[H-].[Na+]
InChIInChI=1S/C4H10ClNO2S.Na.H/c1-4(2)6-9(7,8)3-5;;/h4,6H,3H2,1-2H3;;/q;+1;-1
InChIKeyLRZLQEBFECUKAP-UHFFFAOYSA-N
XLogP-2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-2.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride?
The IUPAC name of sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride (CID 173445243) is sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride.
What is the SMILES notation for sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride?
The canonical SMILES for sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride is CC(C)NS(=O)(=O)CCl.[H-].[Na+].
What is the InChIKey of sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride?
The InChIKey is LRZLQEBFECUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S.Na.H/c1-4(2)6-9(7,8)3-5;;/h4,6H,3H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride?
sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride has a molecular weight of 195.65 g/mol, XLogP of -2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-chloro-N-propan-2-ylmethanesulfonamide;hydride is sourced from PubChem (CID 173445243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).