N-(2-chloroethyl)-N-methyloxane-4-sulfonamide

C8H16ClNO3S — CID 63396388

IUPACN-(2-chloroethyl)-N-methyloxane-4-sulfonamide
SMILESCN(CCCl)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c1-10(5-4-9)14(11,12)8-2-6-13-7-3-8/h8H,2-7H2,1H3
InChIKeyNPDTXZQMQKNIGW-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.67
Rot. Bonds4

About N-(2-chloroethyl)-N-methyloxane-4-sulfonamide

N-(2-chloroethyl)-N-methyloxane-4-sulfonamide (PubChem CID 63396388) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyloxane-4-sulfonamide
PubChem CID63396388
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC NameN-(2-chloroethyl)-N-methyloxane-4-sulfonamide
SMILESCN(CCCl)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c1-10(5-4-9)14(11,12)8-2-6-13-7-3-8/h8H,2-7H2,1H3
InChIKeyNPDTXZQMQKNIGW-UHFFFAOYSA-N
XLogP0.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-4-sulfonamide
CID 107492886
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
CID 113966176
3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
CID 43653909
N-(2-chloroethyl)-N-pentan-3-yloxane-4-sulfonamide
CID 55186705
N,N-diethyloxane-4-sulfonamide
CID 63081887
N-(2-chloroethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 63396476
N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396483
N-butyl-N-(2-chloroethyl)oxane-4-sulfonamide
CID 63396506
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
CID 63396523
N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide
CID 63396761
N-(2-chloroethyl)-2-ethoxy-N-ethylethanesulfonamide
CID 63397008
3-Chloro-1-(oxan-4-ylsulfonyl)pyrrolidine
CID 63397048

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methyloxane-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-methyloxane-4-sulfonamide (CID 63396388) is N-(2-chloroethyl)-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-methyloxane-4-sulfonamide is CN(CCCl)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-chloroethyl)-N-methyloxane-4-sulfonamide?
The InChIKey is NPDTXZQMQKNIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-10(5-4-9)14(11,12)8-2-6-13-7-3-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyloxane-4-sulfonamide?
N-(2-chloroethyl)-N-methyloxane-4-sulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 63396388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).