N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide

C8H18ClNO3S — CID 63397266

IUPACN-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CC(C)Cl
InChIInChI=1S/C8H18ClNO3S/c1-4-13-5-6-14(11,12)10(3)7-8(2)9/h8H,4-7H2,1-3H3
InChIKeyZORFWHHYVWPXNY-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.91
Rot. Bonds7

About N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide

N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide (PubChem CID 63397266) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide
PubChem CID63397266
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC NameN-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CC(C)Cl
InChIInChI=1S/C8H18ClNO3S/c1-4-13-5-6-14(11,12)10(3)7-8(2)9/h8H,4-7H2,1-3H3
InChIKeyZORFWHHYVWPXNY-UHFFFAOYSA-N
XLogP0.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide (CID 63397266) is N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)CC(C)Cl.
What is the InChIKey of N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is ZORFWHHYVWPXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-4-13-5-6-14(11,12)10(3)7-8(2)9/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide?
N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 63397266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).