2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide

C15H19N3O2S — CID 115992788

IUPAC2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
SMILESCCc1ccccc1CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C15H19N3O2S/c1-2-11-6-3-4-7-12(11)10-18-13-8-5-9-14(15(13)16)21(17,19)20/h3-9,18H,2,10,16H2,1H3,(H2,17,19,20)
InChIKeyWSTKEUWYZWGMLM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.09
Rot. Bonds5

About 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide

2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide (PubChem CID 115992788) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
PubChem CID115992788
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
SMILESCCc1ccccc1CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C15H19N3O2S/c1-2-11-6-3-4-7-12(11)10-18-13-8-5-9-14(15(13)16)21(17,19)20/h3-9,18H,2,10,16H2,1H3,(H2,17,19,20)
InChIKeyWSTKEUWYZWGMLM-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

2-amino-3-[(2,5-difluorophenyl)methylamino]benzenesulfonamide
CID 115992748
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-[(3-bromothiophen-2-yl)methylamino]benzenesulfonamide
CID 112674999
2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284293

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide (CID 115992788) is 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide is CCc1ccccc1CNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide?
The InChIKey is WSTKEUWYZWGMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-11-6-3-4-7-12(11)10-18-13-8-5-9-14(15(13)16)21(17,19)20/h3-9,18H,2,10,16H2,1H3,(H2,17,19,20).
What are the key properties of 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide?
2-amino-3-[(2-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 2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 115992788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).