4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide

C15H19N3O2S — CID 106899228

IUPAC4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
SMILESCCc1ccc(CNc2cc(S(N)(=O)=O)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-11-3-5-12(6-4-11)10-18-15-9-13(21(17,19)20)7-8-14(15)16/h3-9,18H,2,10,16H2,1H3,(H2,17,19,20)
InChIKeyNCGDWIHCVAUIDV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.09
Rot. Bonds5

About 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide

4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide (PubChem CID 106899228) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
PubChem CID106899228
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
SMILESCCc1ccc(CNc2cc(S(N)(=O)=O)ccc2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-11-3-5-12(6-4-11)10-18-15-9-13(21(17,19)20)7-8-14(15)16/h3-9,18H,2,10,16H2,1H3,(H2,17,19,20)
InChIKeyNCGDWIHCVAUIDV-UHFFFAOYSA-N
XLogP2.09
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.09
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

4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 82899421
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 82907394
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 82900249
N-[(4-ethylphenyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 43717610
4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284247
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide (CID 106899228) is 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide is CCc1ccc(CNc2cc(S(N)(=O)=O)ccc2N)cc1.
What is the InChIKey of 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide?
The InChIKey is NCGDWIHCVAUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-11-3-5-12(6-4-11)10-18-15-9-13(21(17,19)20)7-8-14(15)16/h3-9,18H,2,10,16H2,1H3,(H2,17,19,20).
What are the key properties of 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide?
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106899228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).