2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid

C13H19NO6S — CID 61008795

IUPAC2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO6S/c1-4-7-14(9-13(15)16)21(17,18)12-6-5-10(19-2)8-11(12)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyFXXGBHFSFHTPKG-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.19
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid

2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid (PubChem CID 61008795) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
PubChem CID61008795
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO6S/c1-4-7-14(9-13(15)16)21(17,18)12-6-5-10(19-2)8-11(12)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyFXXGBHFSFHTPKG-UHFFFAOYSA-N
XLogP1.19
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
CID 43659128
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
CID 43659129
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874
2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32941616
2-[(2,5-dimethoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829815
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid (CID 61008795) is 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid?
The InChIKey is FXXGBHFSFHTPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-4-7-14(9-13(15)16)21(17,18)12-6-5-10(19-2)8-11(12)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid?
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid has a molecular weight of 317.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid is sourced from PubChem (CID 61008795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).