2-amino-4-(diethylamino)benzenesulfonamide

C10H17N3O2S — CID 79460140

IUPAC2-amino-4-(diethylamino)benzenesulfonamide
SMILESCCN(CC)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H17N3O2S/c1-3-13(4-2)8-5-6-10(9(11)7-8)16(12,14)15/h5-7H,3-4,11H2,1-2H3,(H2,12,14,15)
InChIKeyRYEAMUQMFHDCHQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.76
Rot. Bonds4

About 2-amino-4-(diethylamino)benzenesulfonamide

2-amino-4-(diethylamino)benzenesulfonamide (PubChem CID 79460140) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-4-(diethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(diethylamino)benzenesulfonamide
PubChem CID79460140
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-4-(diethylamino)benzenesulfonamide
SMILESCCN(CC)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H17N3O2S/c1-3-13(4-2)8-5-6-10(9(11)7-8)16(12,14)15/h5-7H,3-4,11H2,1-2H3,(H2,12,14,15)
InChIKeyRYEAMUQMFHDCHQ-UHFFFAOYSA-N
XLogP0.76
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
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 2-amino-4-(diethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(diethylamino)benzenesulfonamide (CID 79460140) is 2-amino-4-(diethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(diethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(diethylamino)benzenesulfonamide is CCN(CC)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(diethylamino)benzenesulfonamide?
The InChIKey is RYEAMUQMFHDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-13(4-2)8-5-6-10(9(11)7-8)16(12,14)15/h5-7H,3-4,11H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-amino-4-(diethylamino)benzenesulfonamide?
2-amino-4-(diethylamino)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(diethylamino)benzenesulfonamide is sourced from PubChem (CID 79460140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).