5-fluoro-2-(propylaminomethyl)benzenesulfonamide

C10H15FN2O2S — CID 102920511

IUPAC5-fluoro-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-2-5-13-7-8-3-4-9(11)6-10(8)16(12,14)15/h3-4,6,13H,2,5,7H2,1H3,(H2,12,14,15)
InChIKeyHJXRYJVMSGKFPR-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds5

About 5-fluoro-2-(propylaminomethyl)benzenesulfonamide

5-fluoro-2-(propylaminomethyl)benzenesulfonamide (PubChem CID 102920511) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-fluoro-2-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(propylaminomethyl)benzenesulfonamide
PubChem CID102920511
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name5-fluoro-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-2-5-13-7-8-3-4-9(11)6-10(8)16(12,14)15/h3-4,6,13H,2,5,7H2,1H3,(H2,12,14,15)
InChIKeyHJXRYJVMSGKFPR-UHFFFAOYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 106020014
5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921001
5-fluoro-N-methyl-2-(propylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 102920924
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
2-(bromomethyl)-5-fluorobenzenesulfonamide
CID 21069830
2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120228
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
N-[[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-1-amine
CID 63806922
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
CID 107695803
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
N-[(2-bromo-5-fluorophenyl)methyl]-2-propoxyethanamine
CID 106451724
N-[[2-(3-bromothiophen-2-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 114060312

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(propylaminomethyl)benzenesulfonamide (CID 102920511) is 5-fluoro-2-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
The InChIKey is HJXRYJVMSGKFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-2-5-13-7-8-3-4-9(11)6-10(8)16(12,14)15/h3-4,6,13H,2,5,7H2,1H3,(H2,12,14,15).
What are the key properties of 5-fluoro-2-(propylaminomethyl)benzenesulfonamide?
5-fluoro-2-(propylaminomethyl)benzenesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102920511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).