3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide

C11H16F2N2O2S — CID 62663879

IUPAC3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-2-5-14-6-7-15-18(16,17)9-3-4-10(12)11(13)8-9/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyMKWUTZSGJMLUFZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.24
Rot. Bonds7

About 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide

3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 62663879) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
PubChem CID62663879
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-2-5-14-6-7-15-18(16,17)9-3-4-10(12)11(13)8-9/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyMKWUTZSGJMLUFZ-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.24
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-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
3-fluoro-4-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716059
3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716186
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
CID 5100609
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
3-fluoro-N-[2-(propylamino)ethyl]-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120716388
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715837

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide (CID 62663879) is 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide is CCCNCCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is MKWUTZSGJMLUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-2-5-14-6-7-15-18(16,17)9-3-4-10(12)11(13)8-9/h3-4,8,14-15H,2,5-7H2,1H3.
What are the key properties of 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide?
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62663879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).