4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide

C9H20ClNO3S — CID 116816566

IUPAC4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)CCCCCl
InChIInChI=1S/C9H20ClNO3S/c1-2-9(5-7-12)11-15(13,14)8-4-3-6-10/h9,11-12H,2-8H2,1H3
InChIKeyARASIJRHXKXZFI-UHFFFAOYSA-N
MW257.78 g/mol
LogP1.09
Rot. Bonds9

About 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide

4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide (PubChem CID 116816566) has the molecular formula C9H20ClNO3S and a molecular weight of 257.78 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
PubChem CID116816566
Molecular FormulaC9H20ClNO3S
Molecular Weight257.78 g/mol
Exact Mass257.09
IUPAC Name4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)CCCCCl
InChIInChI=1S/C9H20ClNO3S/c1-2-9(5-7-12)11-15(13,14)8-4-3-6-10/h9,11-12H,2-8H2,1H3
InChIKeyARASIJRHXKXZFI-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 51.09
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

3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105
4-chloro-N-pent-1-yn-3-ylbutane-1-sulfonamide
CID 106898630
4-chloro-N-(3-ethylpentan-2-yl)butane-1-sulfonamide
CID 116816202
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
N-(1-chlorobutan-2-yl)propane-1-sulfonamide
CID 65033874
4-chloro-N-(4-hydroxypentan-2-yl)butane-1-sulfonamide
CID 116816469
3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
CID 106022437
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
4-(2-chloroethyl)-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755137
2-(4-chlorobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103113221
N-(1-bromobutan-2-yl)butane-1-sulfonamide
CID 114298429
N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide
CID 79578428

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide (CID 116816566) is 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide is CCC(CCO)NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide?
The InChIKey is ARASIJRHXKXZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO3S/c1-2-9(5-7-12)11-15(13,14)8-4-3-6-10/h9,11-12H,2-8H2,1H3.
What are the key properties of 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide?
4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide has a molecular weight of 257.78 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 116816566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).