N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide

C9H18ClNO3S — CID 63397753

IUPACN-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18ClNO3S/c1-2-11(6-5-10)15(12,13)8-9-4-3-7-14-9/h9H,2-8H2,1H3
InChIKeyWEXGLPHNBYCBBY-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds6

About N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide

N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63397753) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63397753
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC NameN-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18ClNO3S/c1-2-11(6-5-10)15(12,13)8-9-4-3-7-14-9/h9H,2-8H2,1H3
InChIKeyWEXGLPHNBYCBBY-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.06
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)-1-(oxolan-2-yl)methanesulfonamide
CID 107492854
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 107493050
1-(2-Chloroethyl)-4-(oxolan-2-ylmethylsulfonyl)piperazine
CID 55186884
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
N-(2-chloroethyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 55187831
N,N-diethyl-1-(oxolan-2-yl)methanesulfonamide
CID 62733682
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63396377
N-(2-chloroethyl)-N-methyloxane-4-sulfonamide
CID 63396388
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)-N-propyloxane-4-sulfonamide
CID 63397205
N-(2-chloropropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397220

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide (CID 63397753) is N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide is CCN(CCCl)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is WEXGLPHNBYCBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-2-11(6-5-10)15(12,13)8-9-4-3-7-14-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 255.77 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63397753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).