3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide

C15H17FN2O2S — CID 115576985

IUPAC3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
SMILESCC(CNc1ccc(S(N)(=O)=O)cc1F)c1ccccc1
InChIInChI=1S/C15H17FN2O2S/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(9-14(15)16)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyVCNUCGVMKSKBHK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.69
Rot. Bonds5

About 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide

3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide (PubChem CID 115576985) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
PubChem CID115576985
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
SMILESCC(CNc1ccc(S(N)(=O)=O)cc1F)c1ccccc1
InChIInChI=1S/C15H17FN2O2S/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(9-14(15)16)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyVCNUCGVMKSKBHK-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline
CID 43725067
3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
CID 106115793
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
3-[(2-phenylpropylamino)methyl]benzenesulfonamide
CID 60858820

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide (CID 115576985) is 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide is CC(CNc1ccc(S(N)(=O)=O)cc1F)c1ccccc1.
What is the InChIKey of 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide?
The InChIKey is VCNUCGVMKSKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(9-14(15)16)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide?
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide is sourced from PubChem (CID 115576985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).