1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide

C15H17FN2O2S — CID 29034630

IUPAC1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(CN)cc2)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-2-7-14(8-15(11)16)18-21(19,20)10-13-5-3-12(9-17)4-6-13/h2-8,18H,9-10,17H2,1H3
InChIKeyNFBDGLPLIBIJJV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.53
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide (PubChem CID 29034630) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
PubChem CID29034630
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(CN)cc2)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-2-7-14(8-15(11)16)18-21(19,20)10-13-5-3-12(9-17)4-6-13/h2-8,18H,9-10,17H2,1H3
InChIKeyNFBDGLPLIBIJJV-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide
CID 47064903
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 106039463
1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide
CID 82799003
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
CID 106070690

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide (CID 29034630) is 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccc(CN)cc2)cc1F.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide?
The InChIKey is NFBDGLPLIBIJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-2-7-14(8-15(11)16)18-21(19,20)10-13-5-3-12(9-17)4-6-13/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 29034630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).