2-amino-4-(2-methoxyethylamino)benzenesulfonamide

C9H15N3O3S — CID 79467385

IUPAC2-amino-4-(2-methoxyethylamino)benzenesulfonamide
SMILESCOCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C9H15N3O3S/c1-15-5-4-12-7-2-3-9(8(10)6-7)16(11,13)14/h2-3,6,12H,4-5,10H2,1H3,(H2,11,13,14)
InChIKeyWWBQHOQCUDRCMH-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.03
Rot. Bonds5

About 2-amino-4-(2-methoxyethylamino)benzenesulfonamide

2-amino-4-(2-methoxyethylamino)benzenesulfonamide (PubChem CID 79467385) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-methoxyethylamino)benzenesulfonamide
PubChem CID79467385
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-amino-4-(2-methoxyethylamino)benzenesulfonamide
SMILESCOCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C9H15N3O3S/c1-15-5-4-12-7-2-3-9(8(10)6-7)16(11,13)14/h2-3,6,12H,4-5,10H2,1H3,(H2,11,13,14)
InChIKeyWWBQHOQCUDRCMH-UHFFFAOYSA-N
XLogP-0.03
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
CID 114465302
2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
CID 79466327
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
CID 106234450
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 79466776
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
CID 71375043

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-methoxyethylamino)benzenesulfonamide (CID 79467385) is 2-amino-4-(2-methoxyethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-methoxyethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-methoxyethylamino)benzenesulfonamide is COCCNc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-methoxyethylamino)benzenesulfonamide?
The InChIKey is WWBQHOQCUDRCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-15-5-4-12-7-2-3-9(8(10)6-7)16(11,13)14/h2-3,6,12H,4-5,10H2,1H3,(H2,11,13,14).
What are the key properties of 2-amino-4-(2-methoxyethylamino)benzenesulfonamide?
2-amino-4-(2-methoxyethylamino)benzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyethylamino)benzenesulfonamide is sourced from PubChem (CID 79467385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).