N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide

C14H14F2N2O2S — CID 62969390

IUPACN-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(c1cccc(CN)c1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-18(11-4-2-3-10(7-11)9-17)21(19,20)12-5-6-13(15)14(16)8-12/h2-8H,9,17H2,1H3
InChIKeyHIVSQGXDJXUQQQ-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.25
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide

N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 62969390) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
PubChem CID62969390
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(c1cccc(CN)c1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-18(11-4-2-3-10(7-11)9-17)21(19,20)12-5-6-13(15)14(16)8-12/h2-8H,9,17H2,1H3
InChIKeyHIVSQGXDJXUQQQ-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
CID 114958620
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73347958
N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 75436098
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734208
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide (CID 62969390) is N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide is CN(c1cccc(CN)c1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is HIVSQGXDJXUQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-18(11-4-2-3-10(7-11)9-17)21(19,20)12-5-6-13(15)14(16)8-12/h2-8H,9,17H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide?
N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62969390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).