5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid

C11H14N2O6S — CID 83202818

IUPAC5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCCOC(N)=O)cc1C(=O)O
InChIInChI=1S/C11H14N2O6S/c1-7-2-3-8(6-9(7)10(14)15)20(17,18)13-4-5-19-11(12)16/h2-3,6,13H,4-5H2,1H3,(H2,12,16)(H,14,15)
InChIKeyKNHNAIHUDNMHQV-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.07
Rot. Bonds6

About 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid

5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid (PubChem CID 83202818) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
PubChem CID83202818
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCCOC(N)=O)cc1C(=O)O
InChIInChI=1S/C11H14N2O6S/c1-7-2-3-8(6-9(7)10(14)15)20(17,18)13-4-5-19-11(12)16/h2-3,6,13H,4-5H2,1H3,(H2,12,16)(H,14,15)
InChIKeyKNHNAIHUDNMHQV-UHFFFAOYSA-N
XLogP0.07
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
CID 43553454
2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795
2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 114099289
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967
5-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2-methylbenzoic acid
CID 106155990

Frequently Asked Questions

What is the IUPAC name of 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid?
The IUPAC name of 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid (CID 83202818) is 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid?
The canonical SMILES for 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)NCCOC(N)=O)cc1C(=O)O.
What is the InChIKey of 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid?
The InChIKey is KNHNAIHUDNMHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-7-2-3-8(6-9(7)10(14)15)20(17,18)13-4-5-19-11(12)16/h2-3,6,13H,4-5H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid?
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid has a molecular weight of 302.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid is sourced from PubChem (CID 83202818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).