1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

C4H10ClNO3S — CID 63666806

IUPAC1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)CCl
InChIInChI=1S/C4H10ClNO3S/c1-6(2-3-7)10(8,9)4-5/h7H,2-4H2,1H3
InChIKeyLJCXMPRXCYWVMC-UHFFFAOYSA-N
MW187.65 g/mol
LogP-0.56
Rot. Bonds4

About 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (PubChem CID 63666806) has the molecular formula C4H10ClNO3S and a molecular weight of 187.65 g/mol. Its IUPAC name is 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
PubChem CID63666806
Molecular FormulaC4H10ClNO3S
Molecular Weight187.65 g/mol
Exact Mass187.01
IUPAC Name1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)CCl
InChIInChI=1S/C4H10ClNO3S/c1-6(2-3-7)10(8,9)4-5/h7H,2-4H2,1H3
InChIKeyLJCXMPRXCYWVMC-UHFFFAOYSA-N
XLogP-0.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (CID 63666806) is 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is CN(CCO)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The InChIKey is LJCXMPRXCYWVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO3S/c1-6(2-3-7)10(8,9)4-5/h7H,2-4H2,1H3.
What are the key properties of 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide has a molecular weight of 187.65 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 63666806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).