4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide

C11H25ClN2O2S — CID 105055855

IUPAC4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)CCCCCl
InChIInChI=1S/C11H25ClN2O2S/c1-3-9-14(4-2)10-8-13-17(15,16)11-6-5-7-12/h13H,3-11H2,1-2H3
InChIKeyXNRYGCBPYMVUDA-UHFFFAOYSA-N
MW284.85 g/mol
LogP1.66
Rot. Bonds11

About 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide

4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide (PubChem CID 105055855) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide
PubChem CID105055855
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)CCCCCl
InChIInChI=1S/C11H25ClN2O2S/c1-3-9-14(4-2)10-8-13-17(15,16)11-6-5-7-12/h13H,3-11H2,1-2H3
InChIKeyXNRYGCBPYMVUDA-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 51.66
H-Bond Donors ≤ 51
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

6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
N-[2-(diethylamino)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106034847
3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 43653973
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
4-chloro-N-(2-methylsulfinylethyl)butane-1-sulfonamide
CID 116816542
N-(6-chlorohexyl)-2-methylsulfonylethanesulfonamide
CID 107849083
4-chloro-N-(3-methylsulfinylpropyl)butane-1-sulfonamide
CID 116816553
3-(4-chlorobutylsulfonylamino)-N-methylpropanamide
CID 116816081
4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide (CID 105055855) is 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide is CCCN(CC)CCNS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide?
The InChIKey is XNRYGCBPYMVUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClN2O2S/c1-3-9-14(4-2)10-8-13-17(15,16)11-6-5-7-12/h13H,3-11H2,1-2H3.
What are the key properties of 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide?
4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide has a molecular weight of 284.85 g/mol, XLogP of 1.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 105055855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).