N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide

C14H15FN2O2S — CID 43332122

IUPACN-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H15FN2O2S/c1-16-13-5-7-14(8-6-13)20(18,19)17-10-11-3-2-4-12(15)9-11/h2-9,16-17H,10H2,1H3
InChIKeyAYOILGZOSFHXSP-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.35
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide

N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide (PubChem CID 43332122) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
PubChem CID43332122
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H15FN2O2S/c1-16-13-5-7-14(8-6-13)20(18,19)17-10-11-3-2-4-12(15)9-11/h2-9,16-17H,10H2,1H3
InChIKeyAYOILGZOSFHXSP-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43662811
3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43258739
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
N-[(3-fluorophenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 46406821
1-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)thiourea
CID 175587898
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
N-[[3-(bromomethyl)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 114297971
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
4-bromo-N-[(3-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 98000551
N-benzyl-4-fluorobenzenesulfonamide
CID 835474

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide (CID 43332122) is N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide?
The InChIKey is AYOILGZOSFHXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-16-13-5-7-14(8-6-13)20(18,19)17-10-11-3-2-4-12(15)9-11/h2-9,16-17H,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide?
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 43332122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).