3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide

C15H19N3O2S — CID 62003383

IUPAC3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O2S/c1-3-18(13-6-4-11(2)5-7-13)14-8-12(16)9-15(10-14)21(17,19)20/h4-10H,3,16H2,1-2H3,(H2,17,19,20)
InChIKeyQPMMJMBLLLBGKQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide

3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide (PubChem CID 62003383) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide
PubChem CID62003383
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O2S/c1-3-18(13-6-4-11(2)5-7-13)14-8-12(16)9-15(10-14)21(17,19)20/h4-10H,3,16H2,1-2H3,(H2,17,19,20)
InChIKeyQPMMJMBLLLBGKQ-UHFFFAOYSA-N
XLogP2.38
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
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 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide (CID 62003383) is 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide is CCN(c1ccc(C)cc1)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide?
The InChIKey is QPMMJMBLLLBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-18(13-6-4-11(2)5-7-13)14-8-12(16)9-15(10-14)21(17,19)20/h4-10H,3,16H2,1-2H3,(H2,17,19,20).
What are the key properties of 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide?
3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide is sourced from PubChem (CID 62003383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).