4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine

C8H13N3O2S — CID 114804948

IUPAC4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine
SMILESCNS(=O)(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C8H13N3O2S/c1-6-3-4-7(9)8(5-6)11-14(12,13)10-2/h3-5,10-11H,9H2,1-2H3
InChIKeyPULWJETXZXFRLR-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.45
Rot. Bonds3

About 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine

4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine (PubChem CID 114804948) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine
PubChem CID114804948
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine
SMILESCNS(=O)(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C8H13N3O2S/c1-6-3-4-7(9)8(5-6)11-14(12,13)10-2/h3-5,10-11H,9H2,1-2H3
InChIKeyPULWJETXZXFRLR-UHFFFAOYSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-(diethylsulfamoylamino)-4-methylbenzene
CID 112557490
4-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804316
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
ethane;4-methyl-2-N-methylsulfanylbenzene-1,2-diamine
CID 142334544
4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide
CID 107633993
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
2,4-dimethylaniline;sulfuric acid;hydrate
CID 131846787
1-chloro-4-methyl-2-(sulfamoylamino)benzene
CID 107638348
1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875405
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine (CID 114804948) is 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine is CNS(=O)(=O)Nc1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine?
The InChIKey is PULWJETXZXFRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-3-4-7(9)8(5-6)11-14(12,13)10-2/h3-5,10-11H,9H2,1-2H3.
What are the key properties of 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine?
4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine has a molecular weight of 215.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine is sourced from PubChem (CID 114804948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).