N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide

C10H15FN2O3S — CID 120706784

IUPACN-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCN)ccc1F
InChIInChI=1S/C10H15FN2O3S/c1-16-10-7-8(3-4-9(10)11)17(14,15)13-6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyTXYDPBSWMCLDGA-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds6

About N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide

N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 120706784) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID120706784
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC NameN-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCN)ccc1F
InChIInChI=1S/C10H15FN2O3S/c1-16-10-7-8(3-4-9(10)11)17(14,15)13-6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyTXYDPBSWMCLDGA-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120713011
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
N-(3-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 119961970
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
N-(4-aminobutyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 60895774
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
CID 110601561

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 120706784) is N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCCCN)ccc1F.
What is the InChIKey of N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is TXYDPBSWMCLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-16-10-7-8(3-4-9(10)11)17(14,15)13-6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 120706784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).