4-[4-(aminomethyl)phenoxy]benzenesulfonamide

C13H14N2O3S — CID 106485731

IUPAC4-[4-(aminomethyl)phenoxy]benzenesulfonamide
SMILESNCc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N2O3S/c14-9-10-1-3-11(4-2-10)18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9,14H2,(H2,15,16,17)
InChIKeyDMWRACLJUZHNON-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.59
Rot. Bonds4

About 4-[4-(aminomethyl)phenoxy]benzenesulfonamide

4-[4-(aminomethyl)phenoxy]benzenesulfonamide (PubChem CID 106485731) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenoxy]benzenesulfonamide
PubChem CID106485731
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-[4-(aminomethyl)phenoxy]benzenesulfonamide
SMILESNCc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N2O3S/c14-9-10-1-3-11(4-2-10)18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9,14H2,(H2,15,16,17)
InChIKeyDMWRACLJUZHNON-UHFFFAOYSA-N
XLogP1.59
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
4-(4-iodophenoxy)benzenesulfonamide
CID 43164749
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide
CID 60921703
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
CID 170911916
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 4-[4-(aminomethyl)phenoxy]benzenesulfonamide (CID 106485731) is 4-[4-(aminomethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 4-[4-(aminomethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 4-[4-(aminomethyl)phenoxy]benzenesulfonamide is NCc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenoxy]benzenesulfonamide?
The InChIKey is DMWRACLJUZHNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-9-10-1-3-11(4-2-10)18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9,14H2,(H2,15,16,17).
What are the key properties of 4-[4-(aminomethyl)phenoxy]benzenesulfonamide?
4-[4-(aminomethyl)phenoxy]benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 106485731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).