4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide

C14H14F2N2O2S — CID 43105533

IUPAC4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-14-8-11(15)4-7-13(14)16/h2-9,18H,17H2,1H3
InChIKeyZEZWJGVORVVDRH-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.79
Rot. Bonds4

About 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide

4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide (PubChem CID 43105533) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
PubChem CID43105533
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-14-8-11(15)4-7-13(14)16/h2-9,18H,17H2,1H3
InChIKeyZEZWJGVORVVDRH-UHFFFAOYSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81280802
4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79044635
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
N-[4-fluoro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 113093010
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide (CID 43105533) is 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide?
The InChIKey is ZEZWJGVORVVDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-14-8-11(15)4-7-13(14)16/h2-9,18H,17H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43105533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).