1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene

C8H13N3O2S — CID 103144711

IUPAC1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
SMILESCc1cc(NS(N)(=O)=O)c(C)cc1N
InChIInChI=1S/C8H13N3O2S/c1-5-4-8(11-14(10,12)13)6(2)3-7(5)9/h3-4,11H,9H2,1-2H3,(H2,10,12,13)
InChIKeyHYOIHESDUXJKII-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.50
Rot. Bonds2

About 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene

1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene (PubChem CID 103144711) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
PubChem CID103144711
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
SMILESCc1cc(NS(N)(=O)=O)c(C)cc1N
InChIInChI=1S/C8H13N3O2S/c1-5-4-8(11-14(10,12)13)6(2)3-7(5)9/h3-4,11H,9H2,1-2H3,(H2,10,12,13)
InChIKeyHYOIHESDUXJKII-UHFFFAOYSA-N
XLogP0.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.50
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-4,5-dimethyl-2-(sulfamoylamino)benzene
CID 114958706
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
CID 103144698
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520904
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
methyl 3-[(4-amino-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 103144701
N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103144766

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene?
The IUPAC name of 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene (CID 103144711) is 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene is Cc1cc(NS(N)(=O)=O)c(C)cc1N.
What is the InChIKey of 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene?
The InChIKey is HYOIHESDUXJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-4-8(11-14(10,12)13)6(2)3-7(5)9/h3-4,11H,9H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene?
1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene has a molecular weight of 215.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene is sourced from PubChem (CID 103144711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).