2-hydroxy-1-methyl-3-(sulfamoylamino)benzene

C7H10N2O3S — CID 114959258

IUPAC2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
SMILESCc1cccc(NS(N)(=O)=O)c1O
InChIInChI=1S/C7H10N2O3S/c1-5-3-2-4-6(7(5)10)9-13(8,11)12/h2-4,9-10H,1H3,(H2,8,11,12)
InChIKeyJOTVLQORYREMMA-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.32
Rot. Bonds2

About 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene

2-hydroxy-1-methyl-3-(sulfamoylamino)benzene (PubChem CID 114959258) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
PubChem CID114959258
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
SMILESCc1cccc(NS(N)(=O)=O)c1O
InChIInChI=1S/C7H10N2O3S/c1-5-3-2-4-6(7(5)10)9-13(8,11)12/h2-4,9-10H,1H3,(H2,8,11,12)
InChIKeyJOTVLQORYREMMA-UHFFFAOYSA-N
XLogP0.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
2-methyl-6-(sulfamoylamino)benzenecarboximidamide
CID 107806238
N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594821
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
3-methylbenzene-1,2-diol
CID 135381405
N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 79601438
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene
CID 67399580
4-aminobenzenesulfonamide;3-methylbenzene-1,2-diol
CID 174437033
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene?
The IUPAC name of 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene (CID 114959258) is 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene.
What is the SMILES notation for 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene?
The canonical SMILES for 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene is Cc1cccc(NS(N)(=O)=O)c1O.
What is the InChIKey of 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene?
The InChIKey is JOTVLQORYREMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-5-3-2-4-6(7(5)10)9-13(8,11)12/h2-4,9-10H,1H3,(H2,8,11,12).
What are the key properties of 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene?
2-hydroxy-1-methyl-3-(sulfamoylamino)benzene has a molecular weight of 202.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-3-(sulfamoylamino)benzene is sourced from PubChem (CID 114959258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).