3-amino-5-(4-ethylanilino)benzenesulfonamide

C14H17N3O2S — CID 60987876

IUPAC3-amino-5-(4-ethylanilino)benzenesulfonamide
SMILESCCc1ccc(Nc2cc(N)cc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-10-3-5-12(6-4-10)17-13-7-11(15)8-14(9-13)20(16,18)19/h3-9,17H,2,15H2,1H3,(H2,16,18,19)
InChIKeyRDRIYHWMUFGCFB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-5-(4-ethylanilino)benzenesulfonamide

3-amino-5-(4-ethylanilino)benzenesulfonamide (PubChem CID 60987876) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-5-(4-ethylanilino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(4-ethylanilino)benzenesulfonamide
PubChem CID60987876
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-5-(4-ethylanilino)benzenesulfonamide
SMILESCCc1ccc(Nc2cc(N)cc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-10-3-5-12(6-4-10)17-13-7-11(15)8-14(9-13)20(16,18)19/h3-9,17H,2,15H2,1H3,(H2,16,18,19)
InChIKeyRDRIYHWMUFGCFB-UHFFFAOYSA-N
XLogP2.22
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(4-ethylanilino)-2-methylbenzenesulfonamide
CID 79899521
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 54887840
3-amino-5-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568413
3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493
3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide
CID 107596684
3-amino-5-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 79769202
3-amino-5-(4-bromo-2,6-dimethylanilino)benzenesulfonamide
CID 65468682
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
CID 106889893
3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
CID 63011085

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethylanilino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(4-ethylanilino)benzenesulfonamide (CID 60987876) is 3-amino-5-(4-ethylanilino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(4-ethylanilino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(4-ethylanilino)benzenesulfonamide is CCc1ccc(Nc2cc(N)cc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-amino-5-(4-ethylanilino)benzenesulfonamide?
The InChIKey is RDRIYHWMUFGCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-10-3-5-12(6-4-10)17-13-7-11(15)8-14(9-13)20(16,18)19/h3-9,17H,2,15H2,1H3,(H2,16,18,19).
What are the key properties of 3-amino-5-(4-ethylanilino)benzenesulfonamide?
3-amino-5-(4-ethylanilino)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethylanilino)benzenesulfonamide is sourced from PubChem (CID 60987876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).