N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide

C13H26ClNO3S — CID 79600876

IUPACN-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H26ClNO3S/c1-12(2)18-10-11-19(16,17)15(9-8-14)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyRPLZRAHGQDXYDB-UHFFFAOYSA-N
MW311.88 g/mol
LogP2.61
Rot. Bonds8

About N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide

N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79600876) has the molecular formula C13H26ClNO3S and a molecular weight of 311.88 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide
PubChem CID79600876
Molecular FormulaC13H26ClNO3S
Molecular Weight311.88 g/mol
Exact Mass311.13
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H26ClNO3S/c1-12(2)18-10-11-19(16,17)15(9-8-14)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyRPLZRAHGQDXYDB-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 52.61
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-cyclopentyl-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593960
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
CID 102873490
N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
CID 63396598
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
N-ethyl-N-piperidin-3-yl-2-propan-2-yloxyethanesulfonamide
CID 79594528
N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873426
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide
CID 79592400
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958952
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide (CID 79600876) is N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is RPLZRAHGQDXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO3S/c1-12(2)18-10-11-19(16,17)15(9-8-14)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide?
N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 311.88 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79600876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).