3-chloro-N-hexan-3-ylpropane-1-sulfonamide

C9H20ClNO2S — CID 62093105

IUPAC3-chloro-N-hexan-3-ylpropane-1-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-6-9(4-2)11-14(12,13)8-5-7-10/h9,11H,3-8H2,1-2H3
InChIKeyHFYBCWMAFKFSQY-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.11
Rot. Bonds8

About 3-chloro-N-hexan-3-ylpropane-1-sulfonamide

3-chloro-N-hexan-3-ylpropane-1-sulfonamide (PubChem CID 62093105) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 3-chloro-N-hexan-3-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-hexan-3-ylpropane-1-sulfonamide
PubChem CID62093105
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-hexan-3-ylpropane-1-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-6-9(4-2)11-14(12,13)8-5-7-10/h9,11H,3-8H2,1-2H3
InChIKeyHFYBCWMAFKFSQY-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.11
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

4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
CID 116816566
N-(1-chlorobutan-2-yl)propane-1-sulfonamide
CID 65033874
N-(1-bromobutan-2-yl)butane-1-sulfonamide
CID 114298429
3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
CID 106022437
4-chloro-N-pent-1-yn-3-ylbutane-1-sulfonamide
CID 106898630
4-chloro-N-(3-ethylpentan-2-yl)butane-1-sulfonamide
CID 116816202
N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide
CID 65031040
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hexan-3-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-hexan-3-ylpropane-1-sulfonamide (CID 62093105) is 3-chloro-N-hexan-3-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-hexan-3-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-hexan-3-ylpropane-1-sulfonamide is CCCC(CC)NS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-hexan-3-ylpropane-1-sulfonamide?
The InChIKey is HFYBCWMAFKFSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-3-6-9(4-2)11-14(12,13)8-5-7-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-chloro-N-hexan-3-ylpropane-1-sulfonamide?
3-chloro-N-hexan-3-ylpropane-1-sulfonamide has a molecular weight of 241.78 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hexan-3-ylpropane-1-sulfonamide is sourced from PubChem (CID 62093105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).