N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide

C15H17FN2O2S — CID 63766194

IUPACN-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide
SMILESNCC(Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c16-13-7-4-8-15(10-13)21(19,20)18-14(11-17)9-12-5-2-1-3-6-12/h1-8,10,14,18H,9,11,17H2
InChIKeyDGGRKWPRQSJBMD-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.67
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide

N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 63766194) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide
PubChem CID63766194
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide
SMILESNCC(Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c16-13-7-4-8-15(10-13)21(19,20)18-14(11-17)9-12-5-2-1-3-6-12/h1-8,10,14,18H,9,11,17H2
InChIKeyDGGRKWPRQSJBMD-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
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N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
N-(1-bromo-3-phenylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 114296925
N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
CID 65033552
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 30052010
3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 110673600
N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide (CID 63766194) is N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide is NCC(Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is DGGRKWPRQSJBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-13-7-4-8-15(10-13)21(19,20)18-14(11-17)9-12-5-2-1-3-6-12/h1-8,10,14,18H,9,11,17H2.
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide?
N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 63766194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).