N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide

C17H15FN2O3S — CID 166521368

IUPACN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(-c2ccco2)c1
InChIInChI=1S/C17H15FN2O3S/c18-13-4-6-14(7-5-13)24(21,22)20-16-8-3-12(11-19)10-15(16)17-2-1-9-23-17/h1-10,20H,11,19H2
InChIKeyIGNUYIKMOURZAT-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.35
Rot. Bonds5

About N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide

N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 166521368) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID166521368
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(-c2ccco2)c1
InChIInChI=1S/C17H15FN2O3S/c18-13-4-6-14(7-5-13)24(21,22)20-16-8-3-12(11-19)10-15(16)17-2-1-9-23-17/h1-10,20H,11,19H2
InChIKeyIGNUYIKMOURZAT-UHFFFAOYSA-N
XLogP3.35
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521435
N-[2-(furan-2-yl)-4-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
CID 166521430
2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521361
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 25331204
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 17341987
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
CID 167245137
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
CID 107802338
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide (CID 166521368) is N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide is NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(-c2ccco2)c1.
What is the InChIKey of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is IGNUYIKMOURZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-13-4-6-14(7-5-13)24(21,22)20-16-8-3-12(11-19)10-15(16)17-2-1-9-23-17/h1-10,20H,11,19H2.
What are the key properties of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 346.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 166521368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).