5-amino-3-hydroxy-2-methylbenzenesulfonamide

C7H10N2O3S — CID 79904666

IUPAC5-amino-3-hydroxy-2-methylbenzenesulfonamide
SMILESCc1c(O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C7H10N2O3S/c1-4-6(10)2-5(8)3-7(4)13(9,11)12/h2-3,10H,8H2,1H3,(H2,9,11,12)
InChIKeyDIHOZEYWUSBPEI-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.07
Rot. Bonds1

About 5-amino-3-hydroxy-2-methylbenzenesulfonamide

5-amino-3-hydroxy-2-methylbenzenesulfonamide (PubChem CID 79904666) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-amino-3-hydroxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-hydroxy-2-methylbenzenesulfonamide
PubChem CID79904666
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name5-amino-3-hydroxy-2-methylbenzenesulfonamide
SMILESCc1c(O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C7H10N2O3S/c1-4-6(10)2-5(8)3-7(4)13(9,11)12/h2-3,10H,8H2,1H3,(H2,9,11,12)
InChIKeyDIHOZEYWUSBPEI-UHFFFAOYSA-N
XLogP-0.07
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-hydroxy-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-hydroxy-2-methylbenzenesulfonamide (CID 79904666) is 5-amino-3-hydroxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-hydroxy-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-hydroxy-2-methylbenzenesulfonamide is Cc1c(O)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-hydroxy-2-methylbenzenesulfonamide?
The InChIKey is DIHOZEYWUSBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-4-6(10)2-5(8)3-7(4)13(9,11)12/h2-3,10H,8H2,1H3,(H2,9,11,12).
What are the key properties of 5-amino-3-hydroxy-2-methylbenzenesulfonamide?
5-amino-3-hydroxy-2-methylbenzenesulfonamide has a molecular weight of 202.24 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-hydroxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 79904666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).