4-(phenylmethoxyamino)benzenesulfonamide

C13H14N2O3S — CID 171384467

IUPAC4-(phenylmethoxyamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NOCc2ccccc2)cc1
InChIInChI=1S/C13H14N2O3S/c14-19(16,17)13-8-6-12(7-9-13)15-18-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
InChIKeySBAMMDAGSWEEDC-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.88
Rot. Bonds5

About 4-(phenylmethoxyamino)benzenesulfonamide

4-(phenylmethoxyamino)benzenesulfonamide (PubChem CID 171384467) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(phenylmethoxyamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(phenylmethoxyamino)benzenesulfonamide
PubChem CID171384467
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-(phenylmethoxyamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NOCc2ccccc2)cc1
InChIInChI=1S/C13H14N2O3S/c14-19(16,17)13-8-6-12(7-9-13)15-18-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
InChIKeySBAMMDAGSWEEDC-UHFFFAOYSA-N
XLogP1.88
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-benzylhydrazinyl)benzenesulfonamide
CID 175369596
4-(2-phenylmethoxyethyl)benzenesulfonamide
CID 70517905
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
1-[4-(phenylmethoxyamino)phenyl]propan-1-one
CID 57161903
(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 35053594
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42981356
2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 175811083
disodium;benzenesulfonamide;hydride
CID 174402178
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxyamino)benzenesulfonamide?
The IUPAC name of 4-(phenylmethoxyamino)benzenesulfonamide (CID 171384467) is 4-(phenylmethoxyamino)benzenesulfonamide.
What is the SMILES notation for 4-(phenylmethoxyamino)benzenesulfonamide?
The canonical SMILES for 4-(phenylmethoxyamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NOCc2ccccc2)cc1.
What is the InChIKey of 4-(phenylmethoxyamino)benzenesulfonamide?
The InChIKey is SBAMMDAGSWEEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-19(16,17)13-8-6-12(7-9-13)15-18-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17).
What are the key properties of 4-(phenylmethoxyamino)benzenesulfonamide?
4-(phenylmethoxyamino)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxyamino)benzenesulfonamide is sourced from PubChem (CID 171384467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).