1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide

C7H16ClNO3S — CID 63665140

IUPAC1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO3S/c1-4-9(7(2)5-12-3)13(10,11)6-8/h7H,4-6H2,1-3H3
InChIKeyRZTITXSUYWBQEG-UHFFFAOYSA-N
MW229.73 g/mol
LogP0.87
Rot. Bonds6

About 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide

1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide (PubChem CID 63665140) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
PubChem CID63665140
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC Name1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO3S/c1-4-9(7(2)5-12-3)13(10,11)6-8/h7H,4-6H2,1-3H3
InChIKeyRZTITXSUYWBQEG-UHFFFAOYSA-N
XLogP0.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.87
H-Bond Donors ≤ 50
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-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide (CID 63665140) is 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide is CCN(C(C)COC)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
The InChIKey is RZTITXSUYWBQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO3S/c1-4-9(7(2)5-12-3)13(10,11)6-8/h7H,4-6H2,1-3H3.
What are the key properties of 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide?
1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide has a molecular weight of 229.73 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide is sourced from PubChem (CID 63665140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).