2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid

C10H14N2O5S — CID 71398855

IUPAC2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid
SMILESCOc1ccc(CNS(=O)(=O)CC(=O)O)c(N)c1
InChIInChI=1S/C10H14N2O5S/c1-17-8-3-2-7(9(11)4-8)5-12-18(15,16)6-10(13)14/h2-4,12H,5-6,11H2,1H3,(H,13,14)
InChIKeyGMJIGSSZLYEZPO-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.22
Rot. Bonds6

About 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid

2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid (PubChem CID 71398855) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid
PubChem CID71398855
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid
SMILESCOc1ccc(CNS(=O)(=O)CC(=O)O)c(N)c1
InChIInChI=1S/C10H14N2O5S/c1-17-8-3-2-7(9(11)4-8)5-12-18(15,16)6-10(13)14/h2-4,12H,5-6,11H2,1H3,(H,13,14)
InChIKeyGMJIGSSZLYEZPO-UHFFFAOYSA-N
XLogP-0.22
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
1-(2-amino-4-methoxyphenyl)-3-bromopropan-2-one
CID 118826696
2-[(2,4-dimethoxyphenyl)methylsulfonyl]acetic acid
CID 18003792
5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 115413846
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid
CID 166400734
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 81091134

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid (CID 71398855) is 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid is COc1ccc(CNS(=O)(=O)CC(=O)O)c(N)c1.
What is the InChIKey of 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid?
The InChIKey is GMJIGSSZLYEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-17-8-3-2-7(9(11)4-8)5-12-18(15,16)6-10(13)14/h2-4,12H,5-6,11H2,1H3,(H,13,14).
What are the key properties of 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid?
2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid has a molecular weight of 274.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 71398855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).