2-methoxy-4-(propylsulfamoylamino)benzoic acid

C11H16N2O5S — CID 107208921

IUPAC2-methoxy-4-(propylsulfamoylamino)benzoic acid
SMILESCCCNS(=O)(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C11H16N2O5S/c1-3-6-12-19(16,17)13-8-4-5-9(11(14)15)10(7-8)18-2/h4-5,7,12-13H,3,6H2,1-2H3,(H,14,15)
InChIKeyNTWRIMGROMCWKH-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.05
Rot. Bonds7

About 2-methoxy-4-(propylsulfamoylamino)benzoic acid

2-methoxy-4-(propylsulfamoylamino)benzoic acid (PubChem CID 107208921) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-methoxy-4-(propylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(propylsulfamoylamino)benzoic acid
PubChem CID107208921
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-methoxy-4-(propylsulfamoylamino)benzoic acid
SMILESCCCNS(=O)(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C11H16N2O5S/c1-3-6-12-19(16,17)13-8-4-5-9(11(14)15)10(7-8)18-2/h4-5,7,12-13H,3,6H2,1-2H3,(H,14,15)
InChIKeyNTWRIMGROMCWKH-UHFFFAOYSA-N
XLogP1.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
CID 110426852
4-(2,2-dimethylpropylsulfonylamino)-2-methoxybenzoic acid
CID 107208906
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
4-bromo-2-(propylsulfamoylamino)benzoic acid
CID 114805702
2-chloro-4-(ethylsulfamoylamino)benzoic acid
CID 114805820
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
2-methoxy-4-[(1-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 167777194
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
4-methyl-1-N-(propylsulfamoyl)benzene-1,3-diamine
CID 114804266
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(propylsulfamoylamino)benzoic acid?
The IUPAC name of 2-methoxy-4-(propylsulfamoylamino)benzoic acid (CID 107208921) is 2-methoxy-4-(propylsulfamoylamino)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(propylsulfamoylamino)benzoic acid?
The canonical SMILES for 2-methoxy-4-(propylsulfamoylamino)benzoic acid is CCCNS(=O)(=O)Nc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(propylsulfamoylamino)benzoic acid?
The InChIKey is NTWRIMGROMCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-3-6-12-19(16,17)13-8-4-5-9(11(14)15)10(7-8)18-2/h4-5,7,12-13H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-4-(propylsulfamoylamino)benzoic acid?
2-methoxy-4-(propylsulfamoylamino)benzoic acid has a molecular weight of 288.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(propylsulfamoylamino)benzoic acid is sourced from PubChem (CID 107208921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).