2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide

C8H18ClNO3S — CID 107652526

IUPAC2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
SMILESCC(C)COCCNS(=O)(=O)CCCl
InChIInChI=1S/C8H18ClNO3S/c1-8(2)7-13-5-4-10-14(11,12)6-3-9/h8,10H,3-7H2,1-2H3
InChIKeyPEESGGHDDKLQFG-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.82
Rot. Bonds8

About 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide

2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide (PubChem CID 107652526) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
PubChem CID107652526
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
SMILESCC(C)COCCNS(=O)(=O)CCCl
InChIInChI=1S/C8H18ClNO3S/c1-8(2)7-13-5-4-10-14(11,12)6-3-9/h8,10H,3-7H2,1-2H3
InChIKeyPEESGGHDDKLQFG-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.82
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-[3-(2-methylpropoxy)propyl]ethanesulfonamide
CID 107651702
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
CID 131007900
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106091842
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106091903
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
CID 79580630
N-[2-(2-chloroethoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide (CID 107652526) is 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide is CC(C)COCCNS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide?
The InChIKey is PEESGGHDDKLQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-8(2)7-13-5-4-10-14(11,12)6-3-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide?
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 107652526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).