3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide

C10H22ClNO3S — CID 106295329

IUPAC3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H22ClNO3S/c1-4-5-10(3,13)8-12-16(14,15)7-9(2)6-11/h9,12-13H,4-8H2,1-3H3
InChIKeyNNBBWUQUFQQSLI-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.33
Rot. Bonds8

About 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide (PubChem CID 106295329) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
PubChem CID106295329
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H22ClNO3S/c1-4-5-10(3,13)8-12-16(14,15)7-9(2)6-11/h9,12-13H,4-8H2,1-3H3
InChIKeyNNBBWUQUFQQSLI-UHFFFAOYSA-N
XLogP1.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.33
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-2-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 103835338
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83146748
2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
N-tert-butyl-3-chloro-2-methylpropane-1-sulfonamide
CID 79579871
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797
3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
CID 106288577
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
CID 79580630
N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
CID 65110441
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide
CID 66180381

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide (CID 106295329) is 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide is CCCC(C)(O)CNS(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide?
The InChIKey is NNBBWUQUFQQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-4-5-10(3,13)8-12-16(14,15)7-9(2)6-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 106295329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).