4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide

C9H14N2O3S — CID 43257968

IUPAC4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H14N2O3S/c1-11(2)15(12,13)9-5-4-7(10)6-8(9)14-3/h4-6H,10H2,1-3H3
InChIKeyQFUHGAYWBVJFIS-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.53
Rot. Bonds3

About 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide

4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 43257968) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID43257968
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H14N2O3S/c1-11(2)15(12,13)9-5-4-7(10)6-8(9)14-3/h4-6H,10H2,1-3H3
InChIKeyQFUHGAYWBVJFIS-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 43257968) is 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is QFUHGAYWBVJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-11(2)15(12,13)9-5-4-7(10)6-8(9)14-3/h4-6H,10H2,1-3H3.
What are the key properties of 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide?
4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).