1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene

C14H17N3O2S — CID 43602691

IUPAC1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
SMILESCN(Cc1ccccc1)S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H17N3O2S/c1-17(11-12-6-3-2-4-7-12)20(18,19)16-14-9-5-8-13(15)10-14/h2-10,16H,11,15H2,1H3
InChIKeyCKDRYBFHPZVZBJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.06
Rot. Bonds5

About 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene

1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene (PubChem CID 43602691) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
PubChem CID43602691
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
SMILESCN(Cc1ccccc1)S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H17N3O2S/c1-17(11-12-6-3-2-4-7-12)20(18,19)16-14-9-5-8-13(15)10-14/h2-10,16H,11,15H2,1H3
InChIKeyCKDRYBFHPZVZBJ-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.06
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-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine
CID 102822218
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide
CID 20650751
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
1-(2-aminopropyl)-3-(dimethylsulfamoylamino)benzene
CID 21327409
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene?
The IUPAC name of 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene (CID 43602691) is 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene?
The canonical SMILES for 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene is CN(Cc1ccccc1)S(=O)(=O)Nc1cccc(N)c1.
What is the InChIKey of 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene?
The InChIKey is CKDRYBFHPZVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(11-12-6-3-2-4-7-12)20(18,19)16-14-9-5-8-13(15)10-14/h2-10,16H,11,15H2,1H3.
What are the key properties of 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene?
1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene has a molecular weight of 291.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene is sourced from PubChem (CID 43602691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).