(2-methoxy-4-methylphenyl)sulfamic acid

C8H11NO4S — CID 57354125

IUPAC(2-methoxy-4-methylphenyl)sulfamic acid
SMILESCOc1cc(C)ccc1NS(=O)(=O)O
InChIInChI=1S/C8H11NO4S/c1-6-3-4-7(8(5-6)13-2)9-14(10,11)12/h3-5,9H,1-2H3,(H,10,11,12)
InChIKeyGMPIKDAMODTNLH-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.22
Rot. Bonds3

About (2-methoxy-4-methylphenyl)sulfamic acid

(2-methoxy-4-methylphenyl)sulfamic acid (PubChem CID 57354125) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)sulfamic acid.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)sulfamic acid
PubChem CID57354125
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name(2-methoxy-4-methylphenyl)sulfamic acid
SMILESCOc1cc(C)ccc1NS(=O)(=O)O
InChIInChI=1S/C8H11NO4S/c1-6-3-4-7(8(5-6)13-2)9-14(10,11)12/h3-5,9H,1-2H3,(H,10,11,12)
InChIKeyGMPIKDAMODTNLH-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-5-methylphenyl)sulfamic acid
CID 11844868
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953
1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide
CID 62020535
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
(2R)-2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbutanamide
CID 7079973
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)sulfamic acid?
The IUPAC name of (2-methoxy-4-methylphenyl)sulfamic acid (CID 57354125) is (2-methoxy-4-methylphenyl)sulfamic acid.
What is the SMILES notation for (2-methoxy-4-methylphenyl)sulfamic acid?
The canonical SMILES for (2-methoxy-4-methylphenyl)sulfamic acid is COc1cc(C)ccc1NS(=O)(=O)O.
What is the InChIKey of (2-methoxy-4-methylphenyl)sulfamic acid?
The InChIKey is GMPIKDAMODTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-6-3-4-7(8(5-6)13-2)9-14(10,11)12/h3-5,9H,1-2H3,(H,10,11,12).
What are the key properties of (2-methoxy-4-methylphenyl)sulfamic acid?
(2-methoxy-4-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-4-methylphenyl)sulfamic acid is sourced from PubChem (CID 57354125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).