N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide

C15H17FN2O2S — CID 63359101

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CN)cc2F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-11-2-6-14(7-3-11)21(19,20)18-10-13-5-4-12(9-17)8-15(13)16/h2-8,18H,9-10,17H2,1H3
InChIKeySQYQHAJBACCAIF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.07
Rot. Bonds5

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 63359101) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
PubChem CID63359101
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CN)cc2F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-11-2-6-14(7-3-11)21(19,20)18-10-13-5-4-12(9-17)8-15(13)16/h2-8,18H,9-10,17H2,1H3
InChIKeySQYQHAJBACCAIF-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 63359408
4-methyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3477132
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82840107
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3770733
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 70094597
ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate
CID 114461411
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 28717278
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63359491
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide (CID 63359101) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(CN)cc2F)cc1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is SQYQHAJBACCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-2-6-14(7-3-11)21(19,20)18-10-13-5-4-12(9-17)8-15(13)16/h2-8,18H,9-10,17H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 63359101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).