2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C12H21N3O2S — CID 54947619

IUPAC2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCCc1ccc(NS(=O)(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C12H21N3O2S/c1-5-10-6-7-11(8-12(10)13)14-18(16,17)15(4)9(2)3/h6-9,14H,5,13H2,1-4H3
InChIKeyJFZTUPMOFNXUKN-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.83
Rot. Bonds5

About 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 54947619) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID54947619
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCCc1ccc(NS(=O)(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C12H21N3O2S/c1-5-10-6-7-11(8-12(10)13)14-18(16,17)15(4)9(2)3/h6-9,14H,5,13H2,1-4H3
InChIKeyJFZTUPMOFNXUKN-UHFFFAOYSA-N
XLogP1.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
CID 65483179
3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257148
1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947673
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
1-(2-bromoethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 113271502
N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide
CID 61065811
N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224973
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
N-(3-amino-4-ethylphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067721
1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 54947619) is 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is CCc1ccc(NS(=O)(=O)N(C)C(C)C)cc1N.
What is the InChIKey of 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is JFZTUPMOFNXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-10-6-7-11(8-12(10)13)14-18(16,17)15(4)9(2)3/h6-9,14H,5,13H2,1-4H3.
What are the key properties of 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 271.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 54947619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).