N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide

C15H17FN2O2S — CID 60932275

IUPACN-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-21(19,20)18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,2,11H2,1H3
InChIKeyXXBXNSBTEKHSHB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.20
Rot. Bonds6

About N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide

N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide (PubChem CID 60932275) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
PubChem CID60932275
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-2-21(19,20)18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,2,11H2,1H3
InChIKeyXXBXNSBTEKHSHB-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N,N'-bis(4-fluorophenyl)methanedisulfonamide
CID 90121489
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide (CID 60932275) is N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide?
The InChIKey is XXBXNSBTEKHSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-21(19,20)18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,2,11H2,1H3.
What are the key properties of N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide?
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide is sourced from PubChem (CID 60932275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).