N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide

C8H18ClNO2S — CID 134934526

IUPACN-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide
SMILESCCCC[C@H](CCl)NS(=O)(=O)CC
InChIInChI=1S/C8H18ClNO2S/c1-3-5-6-8(7-9)10-13(11,12)4-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyWFJASRMMESDIPO-MRVPVSSYSA-N
MW227.76 g/mol
LogP1.72
Rot. Bonds7

About N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide

N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide (PubChem CID 134934526) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide
PubChem CID134934526
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC NameN-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide
SMILESCCCC[C@H](CCl)NS(=O)(=O)CC
InChIInChI=1S/C8H18ClNO2S/c1-3-5-6-8(7-9)10-13(11,12)4-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyWFJASRMMESDIPO-MRVPVSSYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide (CID 134934526) is N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide is CCCC[C@H](CCl)NS(=O)(=O)CC.
What is the InChIKey of N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide?
The InChIKey is WFJASRMMESDIPO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-3-5-6-8(7-9)10-13(11,12)4-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide?
N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide has a molecular weight of 227.76 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide is sourced from PubChem (CID 134934526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).