2-amino-4-phenylmethoxybenzenesulfonamide

C13H14N2O3S — CID 79466915

IUPAC2-amino-4-phenylmethoxybenzenesulfonamide
SMILESNc1cc(OCc2ccccc2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O3S/c14-12-8-11(6-7-13(12)19(15,16)17)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2,(H2,15,16,17)
InChIKeyTZGYTVPBOBABJB-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-4-phenylmethoxybenzenesulfonamide

2-amino-4-phenylmethoxybenzenesulfonamide (PubChem CID 79466915) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-amino-4-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-phenylmethoxybenzenesulfonamide
PubChem CID79466915
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-amino-4-phenylmethoxybenzenesulfonamide
SMILESNc1cc(OCc2ccccc2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O3S/c14-12-8-11(6-7-13(12)19(15,16)17)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2,(H2,15,16,17)
InChIKeyTZGYTVPBOBABJB-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
5-phenylmethoxy-2-pyrrol-1-ylaniline
CID 10587700
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
4-phenylmethoxyaniline
CID 159966727
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylmethoxybenzenesulfonamide?
The IUPAC name of 2-amino-4-phenylmethoxybenzenesulfonamide (CID 79466915) is 2-amino-4-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-4-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 2-amino-4-phenylmethoxybenzenesulfonamide is Nc1cc(OCc2ccccc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-phenylmethoxybenzenesulfonamide?
The InChIKey is TZGYTVPBOBABJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-12-8-11(6-7-13(12)19(15,16)17)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2,(H2,15,16,17).
What are the key properties of 2-amino-4-phenylmethoxybenzenesulfonamide?
2-amino-4-phenylmethoxybenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 79466915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).