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

C8H12N2O3S — CID 106954609

IUPAC1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
SMILESCc1cc(NS(N)(=O)=O)c(C)cc1O
InChIInChI=1S/C8H12N2O3S/c1-5-4-8(11)6(2)3-7(5)10-14(9,12)13/h3-4,10-11H,1-2H3,(H2,9,12,13)
InChIKeySWUOUYFDOODBJY-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.62
Rot. Bonds2

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

1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene (PubChem CID 106954609) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
PubChem CID106954609
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
SMILESCc1cc(NS(N)(=O)=O)c(C)cc1O
InChIInChI=1S/C8H12N2O3S/c1-5-4-8(11)6(2)3-7(5)10-14(9,12)13/h3-4,10-11H,1-2H3,(H2,9,12,13)
InChIKeySWUOUYFDOODBJY-UHFFFAOYSA-N
XLogP0.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
CID 106831887
methyl 2-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 106954607
1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
CID 114958706
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954598
1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide
CID 106954612
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbutane-1-sulfonamide
CID 106831925
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)propane-1-sulfonamide
CID 106954583

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene?
The IUPAC name of 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene (CID 106954609) is 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene is Cc1cc(NS(N)(=O)=O)c(C)cc1O.
What is the InChIKey of 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene?
The InChIKey is SWUOUYFDOODBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-5-4-8(11)6(2)3-7(5)10-14(9,12)13/h3-4,10-11H,1-2H3,(H2,9,12,13).
What are the key properties of 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene?
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene has a molecular weight of 216.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene is sourced from PubChem (CID 106954609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).