1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide

C7H16ClNO4S — CID 63665331

IUPAC1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO4S/c1-12-5-3-9(4-6-13-2)14(10,11)7-8/h3-7H2,1-2H3
InChIKeyAEAGREMGQCTNCS-UHFFFAOYSA-N
MW245.73 g/mol
LogP0.11
Rot. Bonds8

About 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide

1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide (PubChem CID 63665331) has the molecular formula C7H16ClNO4S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide
PubChem CID63665331
Molecular FormulaC7H16ClNO4S
Molecular Weight245.73 g/mol
Exact Mass245.05
IUPAC Name1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO4S/c1-12-5-3-9(4-6-13-2)14(10,11)7-8/h3-7H2,1-2H3
InChIKeyAEAGREMGQCTNCS-UHFFFAOYSA-N
XLogP0.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N-bis(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide (CID 63665331) is 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide is COCCN(CCOC)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide?
The InChIKey is AEAGREMGQCTNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO4S/c1-12-5-3-9(4-6-13-2)14(10,11)7-8/h3-7H2,1-2H3.
What are the key properties of 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide?
1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide has a molecular weight of 245.73 g/mol, XLogP of 0.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-bis(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 63665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).