5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid

C11H14N2O5S — CID 43553454

IUPAC5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCCC(N)=O)cc1C(=O)O
InChIInChI=1S/C11H14N2O5S/c1-7-2-3-8(6-9(7)11(15)16)19(17,18)13-5-4-10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)(H,15,16)
InChIKeyBSCBOIGOPCORDN-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.15
Rot. Bonds6

About 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid

5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid (PubChem CID 43553454) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
PubChem CID43553454
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCCC(N)=O)cc1C(=O)O
InChIInChI=1S/C11H14N2O5S/c1-7-2-3-8(6-9(7)11(15)16)19(17,18)13-5-4-10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)(H,15,16)
InChIKeyBSCBOIGOPCORDN-UHFFFAOYSA-N
XLogP-0.15
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
5-[(5-amino-5-oxopentyl)sulfamoyl]-2-iodobenzoic acid
CID 106234811
2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 114099289
5-[(4-amino-4-oxobutyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 81426384
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967
5-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2-methylbenzoic acid
CID 106155990
5-[2-(dimethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 60748903
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid (CID 43553454) is 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)NCCC(N)=O)cc1C(=O)O.
What is the InChIKey of 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid?
The InChIKey is BSCBOIGOPCORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-7-2-3-8(6-9(7)11(15)16)19(17,18)13-5-4-10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid?
5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 43553454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).