3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid

C16H17NO5S — CID 71462466

IUPAC3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid
SMILESCOc1cccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO5S/c1-22-14-6-2-4-12(10-14)8-9-17-23(20,21)15-7-3-5-13(11-15)16(18)19/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)
InChIKeyLWAKDGJIPHDSSN-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.91
Rot. Bonds7

About 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid

3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid (PubChem CID 71462466) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid
PubChem CID71462466
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid
SMILESCOc1cccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO5S/c1-22-14-6-2-4-12(10-14)8-9-17-23(20,21)15-7-3-5-13(11-15)16(18)19/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)
InChIKeyLWAKDGJIPHDSSN-UHFFFAOYSA-N
XLogP1.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxybenzene-1-sulfonyl)phenylalanine
CID 2765062
3-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}sulfonyl)benzoic acid
CID 1263683
4-({[(4-Methoxyphenyl)sulfonyl]amino}methyl)benzoic acid
CID 3244452
3-[4-[(4-Methoxyphenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-carboxylic acid
CID 10253507
5-{[(4-Carboxybutyl)amino]sulfonyl}-2-methoxybenzoic acid
CID 2355944
5-(5-Carboxy-pentylsulfamoyl)-2-methoxy-benzoic acid
CID 2404298
3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid
CID 71453571
3-[2-(3-Phenoxyphenyl)ethylsulfamoyl]benzoic acid
CID 71460745
4-[[(4-Methoxynaphthalen-1-yl)sulfonylamino]methyl]benzoic acid
CID 145980493
N-[4-(4-fluorophenyl)-4-oxobutyl]-4-methoxybenzenesulfonamide
CID 139548234
3-[[(4-Methoxynaphthalen-1-yl)sulfonylamino]methyl]benzoic acid
CID 145980978
4-[[Benzenesulfonyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 57422392

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid (CID 71462466) is 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid is COc1cccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The InChIKey is LWAKDGJIPHDSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-22-14-6-2-4-12(10-14)8-9-17-23(20,21)15-7-3-5-13(11-15)16(18)19/h2-7,10-11,17H,8-9H2,1H3,(H,18,19).
What are the key properties of 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid?
3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid has a molecular weight of 335.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 71462466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).