2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid

C12H16N2O6S — CID 63644748

IUPAC2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-2-13-21(19,20)10-5-3-9(4-6-10)14(7-11(15)16)8-12(17)18/h3-6,13H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyXDUFDRXRCBKCPK-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.04
Rot. Bonds8

About 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid

2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid (PubChem CID 63644748) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
PubChem CID63644748
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-2-13-21(19,20)10-5-3-9(4-6-10)14(7-11(15)16)8-12(17)18/h3-6,13H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyXDUFDRXRCBKCPK-UHFFFAOYSA-N
XLogP-0.04
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(ethylsulfamoyl)-N-prop-2-ynylanilino]acetic acid
CID 79273074
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62007235
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid
CID 120517921
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
2-(N-butyl-4-ethylsulfonylanilino)acetic acid
CID 18972370
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid
CID 61007878
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581

Frequently Asked Questions

What is the IUPAC name of 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid (CID 63644748) is 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid is CCNS(=O)(=O)c1ccc(N(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid?
The InChIKey is XDUFDRXRCBKCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-2-13-21(19,20)10-5-3-9(4-6-10)14(7-11(15)16)8-12(17)18/h3-6,13H,2,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid?
2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid has a molecular weight of 316.34 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 63644748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).