N-[(2R)-2-chlorohexyl]ethanesulfonamide

C8H18ClNO2S — CID 134933923

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

About N-[(2R)-2-chlorohexyl]ethanesulfonamide

N-[(2R)-2-chlorohexyl]ethanesulfonamide (PubChem CID 134933923) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is N-[(2R)-2-chlorohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-chlorohexyl]ethanesulfonamide
PubChem CID134933923
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC NameN-[(2R)-2-chlorohexyl]ethanesulfonamide
SMILESCCCC[C@@H](Cl)CNS(=O)(=O)CC
InChIInChI=1S/C8H18ClNO2S/c1-3-5-6-8(9)7-10-13(11,12)4-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZAKYQWFWZOEOPV-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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Related Compounds

3-chloro-N-methylhexane-1-sulfonamide
CID 13468216
N-amyl-4-chlorobutanesulfonamide
CID 13468220
N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide
CID 134934526
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
N-(5-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107322724
N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107849243
N-(2-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116271156
N-(3-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116284108
4-chloro-N-(5,5,5-trifluoropentyl)butane-1-sulfonamide
CID 116816397
N-cyclopropyl-6-chlorohexanesulfonamide
CID 11010063
5-chloro-N-cyclobutylpentane-1-sulfonamide
CID 17794160
5-chloro-N-cyclopentylpentane-1-sulfonamide
CID 17794163

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-chlorohexyl]ethanesulfonamide?
The IUPAC name of N-[(2R)-2-chlorohexyl]ethanesulfonamide (CID 134933923) is N-[(2R)-2-chlorohexyl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-chlorohexyl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-2-chlorohexyl]ethanesulfonamide is CCCC[C@@H](Cl)CNS(=O)(=O)CC.
What is the InChIKey of N-[(2R)-2-chlorohexyl]ethanesulfonamide?
The InChIKey is ZAKYQWFWZOEOPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-3-5-6-8(9)7-10-13(11,12)4-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-chlorohexyl]ethanesulfonamide?
N-[(2R)-2-chlorohexyl]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)-2-chlorohexyl]ethanesulfonamide is sourced from PubChem (CID 134933923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).