3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide

C11H24ClNO3S — CID 106288577

IUPAC3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H24ClNO3S/c1-4-10(5-2)11(14)7-13-17(15,16)8-9(3)6-12/h9-11,13-14H,4-8H2,1-3H3
InChIKeySOZGPDVLIGEVQC-UHFFFAOYSA-N
MW285.84 g/mol
LogP1.58
Rot. Bonds9

About 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide (PubChem CID 106288577) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
PubChem CID106288577
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC Name3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H24ClNO3S/c1-4-10(5-2)11(14)7-13-17(15,16)8-9(3)6-12/h9-11,13-14H,4-8H2,1-3H3
InChIKeySOZGPDVLIGEVQC-UHFFFAOYSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
CID 111440038
N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 113317358
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83146748
3-ethyl-1-(2-methylpropylsulfamoylamino)pentan-2-ol
CID 106288332
N-tert-butyl-3-chloro-2-methylpropane-1-sulfonamide
CID 79579871
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
CID 106295329
3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
CID 79580630
N-(1-adamantylmethyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586166
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79588967
N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
CID 95633247
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide (CID 106288577) is 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide is CCC(CC)C(O)CNS(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide?
The InChIKey is SOZGPDVLIGEVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-4-10(5-2)11(14)7-13-17(15,16)8-9(3)6-12/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide has a molecular weight of 285.84 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 106288577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).