2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid

C12H17NO5S — CID 131962540

IUPAC2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid
SMILESCOC(C)CS(=O)(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C12H17NO5S/c1-9(18-3)8-19(16,17)13(2)11-7-5-4-6-10(11)12(14)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyFNJNYJKOFWWFSI-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.19
Rot. Bonds6

About 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid

2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid (PubChem CID 131962540) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid
PubChem CID131962540
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid
SMILESCOC(C)CS(=O)(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C12H17NO5S/c1-9(18-3)8-19(16,17)13(2)11-7-5-4-6-10(11)12(14)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyFNJNYJKOFWWFSI-UHFFFAOYSA-N
XLogP1.19
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-methoxypropylsulfonyl(methyl)amino]benzoate
CID 63288047
2-[carboxy(propan-2-yl)amino]benzoic acid
CID 69006407
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[methyl(3-methylbutyl)amino]benzoic acid
CID 61428885
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
CID 136537758

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid?
The IUPAC name of 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid (CID 131962540) is 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid is COC(C)CS(=O)(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid?
The InChIKey is FNJNYJKOFWWFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9(18-3)8-19(16,17)13(2)11-7-5-4-6-10(11)12(14)15/h4-7,9H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid?
2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid is sourced from PubChem (CID 131962540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).