4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide

C10H22ClNO3S — CID 116816263

IUPAC4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCCCCl
InChIInChI=1S/C10H22ClNO3S/c1-3-10(13,4-2)9-12-16(14,15)8-6-5-7-11/h12-13H,3-9H2,1-2H3
InChIKeyGQLPZEDCEUNRLN-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.48
Rot. Bonds9

About 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide

4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide (PubChem CID 116816263) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide
PubChem CID116816263
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCCCCl
InChIInChI=1S/C10H22ClNO3S/c1-3-10(13,4-2)9-12-16(14,15)8-6-5-7-11/h12-13H,3-9H2,1-2H3
InChIKeyGQLPZEDCEUNRLN-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059714
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103684499
1-bromo-N-(2-ethyl-2-hydroxybutyl)methanesulfonamide
CID 83086798
3-chloro-N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66171876
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
3-chloro-N-[2-(dimethylamino)-2-methylpropyl]propane-1-sulfonamide
CID 61249127
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114943825
5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65105586
3-(4-chlorobutylsulfonylamino)-N-methylpropanamide
CID 116816081
4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
4-chloro-N-(2-methylsulfinylethyl)butane-1-sulfonamide
CID 116816542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide (CID 116816263) is 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide is CCC(O)(CC)CNS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide?
The InChIKey is GQLPZEDCEUNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-3-10(13,4-2)9-12-16(14,15)8-6-5-7-11/h12-13H,3-9H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide?
4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide is sourced from PubChem (CID 116816263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).