4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide

C14H16N2O3S — CID 12943036

IUPAC4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-16(2)20(17,18)14-9-7-13(8-10-14)19-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3
InChIKeyBARHOKHYMCWYOU-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.31
Rot. Bonds4

About 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide

4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide (PubChem CID 12943036) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
PubChem CID12943036
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-16(2)20(17,18)14-9-7-13(8-10-14)19-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3
InChIKeyBARHOKHYMCWYOU-UHFFFAOYSA-N
XLogP2.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide
CID 141362712
4-amino-N-methoxy-N-methylbenzenesulfonamide
CID 4962658
4-(4-aminophenoxy)aniline
CID 161415647
[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate
CID 156503905
4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
CID 43341127
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;1,1'-biphenyl
CID 160996826
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
CID 90391328
CID 90391328

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide (CID 12943036) is 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide?
The InChIKey is BARHOKHYMCWYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16(2)20(17,18)14-9-7-13(8-10-14)19-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3.
What are the key properties of 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide?
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 12943036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).