3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide

C15H19N3O2S — CID 79756339

IUPAC3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
SMILESCc1ccccc1CCNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C15H19N3O2S/c1-11-4-2-3-5-12(11)8-9-18-15-7-6-13(10-14(15)16)21(17,19)20/h2-7,10,18H,8-9,16H2,1H3,(H2,17,19,20)
InChIKeyNJMZESRYLDAUPV-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.88
Rot. Bonds5

About 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide

3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide (PubChem CID 79756339) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
PubChem CID79756339
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
SMILESCc1ccccc1CCNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C15H19N3O2S/c1-11-4-2-3-5-12(11)8-9-18-15-7-6-13(10-14(15)16)21(17,19)20/h2-7,10,18H,8-9,16H2,1H3,(H2,17,19,20)
InChIKeyNJMZESRYLDAUPV-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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

1-N-[2-(2-methylphenyl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 79756350
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
3-amino-4-(3-phenylpropylamino)benzenesulfonamide
CID 60906277
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543
3-amino-4-[(3-methylphenyl)methylamino]benzenesulfonamide
CID 60904104
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide (CID 79756339) is 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide is Cc1ccccc1CCNc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide?
The InChIKey is NJMZESRYLDAUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-4-2-3-5-12(11)8-9-18-15-7-6-13(10-14(15)16)21(17,19)20/h2-7,10,18H,8-9,16H2,1H3,(H2,17,19,20).
What are the key properties of 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide?
3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 79756339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).