3-(methanesulfonamido)-4-propoxybenzoic acid

C11H15NO5S — CID 110504278

IUPAC3-(methanesulfonamido)-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NS(C)(=O)=O
InChIInChI=1S/C11H15NO5S/c1-3-6-17-10-5-4-8(11(13)14)7-9(10)12-18(2,15)16/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyWSFRPHVNJUASDI-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.55
Rot. Bonds6

About 3-(methanesulfonamido)-4-propoxybenzoic acid

3-(methanesulfonamido)-4-propoxybenzoic acid (PubChem CID 110504278) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-propoxybenzoic acid.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-propoxybenzoic acid
PubChem CID110504278
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name3-(methanesulfonamido)-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NS(C)(=O)=O
InChIInChI=1S/C11H15NO5S/c1-3-6-17-10-5-4-8(11(13)14)7-9(10)12-18(2,15)16/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyWSFRPHVNJUASDI-UHFFFAOYSA-N
XLogP1.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoylamino)-4-propoxybenzoic acid
CID 110504303
3-[(2-chlorophenyl)sulfonylamino]-4-propoxybenzoic acid
CID 110504298
3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid
CID 174756826
4-iodo-3-propoxybenzoic acid
CID 68960644
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 110493768
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
3-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170682125
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
methyl 3-formamido-4-propoxybenzoate
CID 135191960

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-propoxybenzoic acid?
The IUPAC name of 3-(methanesulfonamido)-4-propoxybenzoic acid (CID 110504278) is 3-(methanesulfonamido)-4-propoxybenzoic acid.
What is the SMILES notation for 3-(methanesulfonamido)-4-propoxybenzoic acid?
The canonical SMILES for 3-(methanesulfonamido)-4-propoxybenzoic acid is CCCOc1ccc(C(=O)O)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-propoxybenzoic acid?
The InChIKey is WSFRPHVNJUASDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-6-17-10-5-4-8(11(13)14)7-9(10)12-18(2,15)16/h4-5,7,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(methanesulfonamido)-4-propoxybenzoic acid?
3-(methanesulfonamido)-4-propoxybenzoic acid has a molecular weight of 273.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-propoxybenzoic acid is sourced from PubChem (CID 110504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).