3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide

C14H15FN2O3S — CID 107734211

IUPAC3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H15FN2O3S/c1-17(11-3-2-4-12(18)8-11)21(19,20)13-5-6-14(15)10(7-13)9-16/h2-8,18H,9,16H2,1H3
InChIKeyAJMPGMOGACEBHL-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.82
Rot. Bonds4

About 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide

3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107734211) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107734211
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H15FN2O3S/c1-17(11-3-2-4-12(18)8-11)21(19,20)13-5-6-14(15)10(7-13)9-16/h2-8,18H,9,16H2,1H3
InChIKeyAJMPGMOGACEBHL-UHFFFAOYSA-N
XLogP1.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107734211) is 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is AJMPGMOGACEBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-17(11-3-2-4-12(18)8-11)21(19,20)13-5-6-14(15)10(7-13)9-16/h2-8,18H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107734211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).