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

C11H22ClNO3S — CID 55187073

IUPACN-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCCCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22ClNO3S/c1-2-3-7-13(8-6-12)17(14,15)10-11-5-4-9-16-11/h11H,2-10H2,1H3
InChIKeyOJOBEEKNIVLEIH-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.84
Rot. Bonds8

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

N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55187073) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55187073
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCCCN(CCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22ClNO3S/c1-2-3-7-13(8-6-12)17(14,15)10-11-5-4-9-16-11/h11H,2-10H2,1H3
InChIKeyOJOBEEKNIVLEIH-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.84
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
N-(2-chloroethyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 55187831
3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61433631
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61439111
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63396377
N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396483
N-butyl-N-(2-chloroethyl)oxane-4-sulfonamide
CID 63396506
4-Chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 63396670
N-butyl-N-(2-chloroethyl)-2-ethoxyethanesulfonamide
CID 63396854
N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396906
3-Chloro-1-(oxan-4-ylsulfonyl)pyrrolidine
CID 63397048

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide (CID 55187073) is N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide is CCCCN(CCCl)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is OJOBEEKNIVLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-2-3-7-13(8-6-12)17(14,15)10-11-5-4-9-16-11/h11H,2-10H2,1H3.
What are the key properties of N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide?
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55187073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).