N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride

C7H18ClFN2O2S — CID 119973459

IUPACN-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)CCCF.Cl
InChIInChI=1S/C7H17FN2O2S.ClH/c1-2-9-5-6-10-13(11,12)7-3-4-8;/h9-10H,2-7H2,1H3;1H
InChIKeyOJCXCNUKTBQOQA-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.30
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride (PubChem CID 119973459) has the molecular formula C7H18ClFN2O2S and a molecular weight of 248.75 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
PubChem CID119973459
Molecular FormulaC7H18ClFN2O2S
Molecular Weight248.75 g/mol
Exact Mass248.08
IUPAC NameN-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)CCCF.Cl
InChIInChI=1S/C7H17FN2O2S.ClH/c1-2-9-5-6-10-13(11,12)7-3-4-8;/h9-10H,2-7H2,1H3;1H
InChIKeyOJCXCNUKTBQOQA-UHFFFAOYSA-N
XLogP0.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide
CID 71911755
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82842362
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride (CID 119973459) is N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride is CCNCCNS(=O)(=O)CCCF.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride?
The InChIKey is OJCXCNUKTBQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2O2S.ClH/c1-2-9-5-6-10-13(11,12)7-3-4-8;/h9-10H,2-7H2,1H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119973459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).