2-(2-propylsulfonylanilino)acetic acid

C11H15NO4S — CID 43453612

IUPAC2-(2-propylsulfonylanilino)acetic acid
SMILESCCCS(=O)(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-2-7-17(15,16)10-6-4-3-5-9(10)12-8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14)
InChIKeyYLCZKDLVNRWCJO-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.37
Rot. Bonds6

About 2-(2-propylsulfonylanilino)acetic acid

2-(2-propylsulfonylanilino)acetic acid (PubChem CID 43453612) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2-propylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-propylsulfonylanilino)acetic acid
PubChem CID43453612
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(2-propylsulfonylanilino)acetic acid
SMILESCCCS(=O)(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-2-7-17(15,16)10-6-4-3-5-9(10)12-8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14)
InChIKeyYLCZKDLVNRWCJO-UHFFFAOYSA-N
XLogP1.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-ethyl-2-propylsulfonylaniline
CID 43453634
3-methyl-2-[(2-propylsulfonylanilino)methyl]butanoic acid
CID 65226606
1-methyl-3-(2-propylsulfonylphenyl)urea
CID 117061578
1-[(2-propylsulfonylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115445689
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
5-(2-propylsulfonylanilino)hexanoic acid
CID 82846703
2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
CID 106172244
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
2-(2-propylsulfonylanilino)hexanoic acid
CID 43470254
3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
CID 66107946

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylanilino)acetic acid?
The IUPAC name of 2-(2-propylsulfonylanilino)acetic acid (CID 43453612) is 2-(2-propylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-propylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-propylsulfonylanilino)acetic acid is CCCS(=O)(=O)c1ccccc1NCC(=O)O.
What is the InChIKey of 2-(2-propylsulfonylanilino)acetic acid?
The InChIKey is YLCZKDLVNRWCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-7-17(15,16)10-6-4-3-5-9(10)12-8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-propylsulfonylanilino)acetic acid?
2-(2-propylsulfonylanilino)acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylanilino)acetic acid is sourced from PubChem (CID 43453612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).