5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C14H14F2N2O2S — CID 28716292

IUPAC5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)NCc2ccccc2F)c1
InChIInChI=1S/C14H14F2N2O2S/c15-12-4-2-1-3-11(12)9-18-21(19,20)14-7-10(8-17)5-6-13(14)16/h1-7,18H,8-9,17H2
InChIKeyKPVNSQUDAJOZHB-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.90
Rot. Bonds5

About 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide

5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 28716292) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID28716292
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)NCc2ccccc2F)c1
InChIInChI=1S/C14H14F2N2O2S/c15-12-4-2-1-3-11(12)9-18-21(19,20)14-7-10(8-17)5-6-13(14)16/h1-7,18H,8-9,17H2
InChIKeyKPVNSQUDAJOZHB-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 28717278
2-amino-5-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 60986102
5-(aminomethyl)-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013710
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 63359408
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 2578365
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 28716292) is 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide is NCc1ccc(F)c(S(=O)(=O)NCc2ccccc2F)c1.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is KPVNSQUDAJOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c15-12-4-2-1-3-11(12)9-18-21(19,20)14-7-10(8-17)5-6-13(14)16/h1-7,18H,8-9,17H2.
What are the key properties of 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 28716292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).