3-amino-N-hydroxy-4-methoxybenzenesulfonamide

C7H10N2O4S — CID 23645546

IUPAC3-amino-N-hydroxy-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NO)cc1N
InChIInChI=1S/C7H10N2O4S/c1-13-7-3-2-5(4-6(7)8)14(11,12)9-10/h2-4,9-10H,8H2,1H3
InChIKeyLSHFFFVFHVCTTH-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.06
Rot. Bonds3

About 3-amino-N-hydroxy-4-methoxybenzenesulfonamide

3-amino-N-hydroxy-4-methoxybenzenesulfonamide (PubChem CID 23645546) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-amino-N-hydroxy-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-hydroxy-4-methoxybenzenesulfonamide
PubChem CID23645546
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name3-amino-N-hydroxy-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NO)cc1N
InChIInChI=1S/C7H10N2O4S/c1-13-7-3-2-5(4-6(7)8)14(11,12)9-10/h2-4,9-10H,8H2,1H3
InChIKeyLSHFFFVFHVCTTH-UHFFFAOYSA-N
XLogP-0.06
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 66814
CID 66814
CID 579335
CID 579335
CID 66804
CID 66804
CID 66455
CID 66455
CID 80945
CID 80945
CID 3273476
CID 3273476
CID 835273
CID 835273
CID 3773327
CID 3773327
CID 66821
CID 66821
CID 3790387
CID 3790387
CID 79278
CID 79278
CID 96952
CID 96952

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-hydroxy-4-methoxybenzenesulfonamide (CID 23645546) is 3-amino-N-hydroxy-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-hydroxy-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-hydroxy-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NO)cc1N.
What is the InChIKey of 3-amino-N-hydroxy-4-methoxybenzenesulfonamide?
The InChIKey is LSHFFFVFHVCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-13-7-3-2-5(4-6(7)8)14(11,12)9-10/h2-4,9-10H,8H2,1H3.
What are the key properties of 3-amino-N-hydroxy-4-methoxybenzenesulfonamide?
3-amino-N-hydroxy-4-methoxybenzenesulfonamide has a molecular weight of 218.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-4-methoxybenzenesulfonamide is sourced from PubChem (CID 23645546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).