(2-methoxy-5-methylphenyl)sulfamic acid

C8H11NO4S — CID 11844868

IUPAC(2-methoxy-5-methylphenyl)sulfamic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)O
InChIInChI=1S/C8H11NO4S/c1-6-3-4-8(13-2)7(5-6)9-14(10,11)12/h3-5,9H,1-2H3,(H,10,11,12)
InChIKeyCJLVBNARPGWXBN-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.22
Rot. Bonds3

About (2-methoxy-5-methylphenyl)sulfamic acid

(2-methoxy-5-methylphenyl)sulfamic acid (PubChem CID 11844868) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)sulfamic acid.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)sulfamic acid
PubChem CID11844868
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name(2-methoxy-5-methylphenyl)sulfamic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)O
InChIInChI=1S/C8H11NO4S/c1-6-3-4-8(13-2)7(5-6)9-14(10,11)12/h3-5,9H,1-2H3,(H,10,11,12)
InChIKeyCJLVBNARPGWXBN-UHFFFAOYSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-4-methylphenyl)sulfamic acid
CID 57354125
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 51115488
2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760847
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
CID 112987760
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)sulfamic acid?
The IUPAC name of (2-methoxy-5-methylphenyl)sulfamic acid (CID 11844868) is (2-methoxy-5-methylphenyl)sulfamic acid.
What is the SMILES notation for (2-methoxy-5-methylphenyl)sulfamic acid?
The canonical SMILES for (2-methoxy-5-methylphenyl)sulfamic acid is COc1ccc(C)cc1NS(=O)(=O)O.
What is the InChIKey of (2-methoxy-5-methylphenyl)sulfamic acid?
The InChIKey is CJLVBNARPGWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-6-3-4-8(13-2)7(5-6)9-14(10,11)12/h3-5,9H,1-2H3,(H,10,11,12).
What are the key properties of (2-methoxy-5-methylphenyl)sulfamic acid?
(2-methoxy-5-methylphenyl)sulfamic acid has a molecular weight of 217.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)sulfamic acid is sourced from PubChem (CID 11844868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).