2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide

C14H14F2N2O2S — CID 62605153

IUPAC2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H14F2N2O2S/c15-11-7-10(8-12(16)9-11)5-6-18-21(19,20)14-4-2-1-3-13(14)17/h1-4,7-9,18H,5-6,17H2
InChIKeyUXAIUSXWWGAWOW-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.07
Rot. Bonds5

About 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide

2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide (PubChem CID 62605153) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
PubChem CID62605153
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H14F2N2O2S/c15-11-7-10(8-12(16)9-11)5-6-18-21(19,20)14-4-2-1-3-13(14)17/h1-4,7-9,18H,5-6,17H2
InChIKeyUXAIUSXWWGAWOW-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 61128180
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62163350
N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
CID 62304575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide (CID 62605153) is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide is Nc1ccccc1S(=O)(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is UXAIUSXWWGAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c15-11-7-10(8-12(16)9-11)5-6-18-21(19,20)14-4-2-1-3-13(14)17/h1-4,7-9,18H,5-6,17H2.
What are the key properties of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide?
2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 62605153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).