2-amino-4-methoxybenzenesulfonamide

C7H10N2O3S — CID 12525394

IUPAC2-amino-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C7H10N2O3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyKQDZEDHMFMVZRU-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.08
Rot. Bonds2

About 2-amino-4-methoxybenzenesulfonamide

2-amino-4-methoxybenzenesulfonamide (PubChem CID 12525394) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-amino-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxybenzenesulfonamide
PubChem CID12525394
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name2-amino-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C7H10N2O3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyKQDZEDHMFMVZRU-UHFFFAOYSA-N
XLogP-0.08
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.08
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

4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-amino-N-(3-methoxyphenyl)benzenesulfonamide
CID 16795336
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
3-Amino-4-methoxybenzenesulfonamide
CID 81451
3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 778398
4-ethoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 893583
4-amino-N-(3-amino-5-methoxyphenyl)benzenesulfonamide
CID 44398555
N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3868261
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
CID 767657
4-Methoxy-2-nitrobenzenesulphonyl chloride
CID 87452
2-Amino-4-methoxybenzene-1-thiol
CID 108589

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-4-methoxybenzenesulfonamide (CID 12525394) is 2-amino-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-methoxybenzenesulfonamide?
The InChIKey is KQDZEDHMFMVZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11).
What are the key properties of 2-amino-4-methoxybenzenesulfonamide?
2-amino-4-methoxybenzenesulfonamide has a molecular weight of 202.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxybenzenesulfonamide is sourced from PubChem (CID 12525394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).