2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide

C9H20ClNO3S — CID 107651702

IUPAC2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
SMILESCC(C)COCCCNS(=O)(=O)CCCl
InChIInChI=1S/C9H20ClNO3S/c1-9(2)8-14-6-3-5-11-15(12,13)7-4-10/h9,11H,3-8H2,1-2H3
InChIKeyOIJZGNFYJHMOMI-UHFFFAOYSA-N
MW257.78 g/mol
LogP1.21
Rot. Bonds9

About 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide

2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide (PubChem CID 107651702) has the molecular formula C9H20ClNO3S and a molecular weight of 257.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
PubChem CID107651702
Molecular FormulaC9H20ClNO3S
Molecular Weight257.78 g/mol
Exact Mass257.09
IUPAC Name2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
SMILESCC(C)COCCCNS(=O)(=O)CCCl
InChIInChI=1S/C9H20ClNO3S/c1-9(2)8-14-6-3-5-11-15(12,13)7-4-10/h9,11H,3-8H2,1-2H3
InChIKeyOIJZGNFYJHMOMI-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 51.21
H-Bond Donors ≤ 51
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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Related Compounds

2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401731
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927
4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
CID 106450585
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide (CID 107651702) is 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide is CC(C)COCCCNS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide?
The InChIKey is OIJZGNFYJHMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO3S/c1-9(2)8-14-6-3-5-11-15(12,13)7-4-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide?
2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide has a molecular weight of 257.78 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide is sourced from PubChem (CID 107651702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).