2-[N-(2-sulfamoylethyl)anilino]acetic acid

C10H14N2O4S — CID 114385326

IUPAC2-[N-(2-sulfamoylethyl)anilino]acetic acid
SMILESNS(=O)(=O)CCN(CC(=O)O)c1ccccc1
InChIInChI=1S/C10H14N2O4S/c11-17(15,16)7-6-12(8-10(13)14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H2,11,15,16)
InChIKeyYVPVEDZRWKOBDQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.13
Rot. Bonds6

About 2-[N-(2-sulfamoylethyl)anilino]acetic acid

2-[N-(2-sulfamoylethyl)anilino]acetic acid (PubChem CID 114385326) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[N-(2-sulfamoylethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-sulfamoylethyl)anilino]acetic acid
PubChem CID114385326
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[N-(2-sulfamoylethyl)anilino]acetic acid
SMILESNS(=O)(=O)CCN(CC(=O)O)c1ccccc1
InChIInChI=1S/C10H14N2O4S/c11-17(15,16)7-6-12(8-10(13)14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H2,11,15,16)
InChIKeyYVPVEDZRWKOBDQ-UHFFFAOYSA-N
XLogP-0.13
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
2-[N-[2-(trifluoromethylsulfanyl)ethyl]anilino]acetic acid
CID 116616747
2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
CID 61070339
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
2-[N-(4-cyanobutyl)anilino]acetic acid
CID 54925845
2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]acetic acid
CID 87508306
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
2-[N-(trifluoromethoxy)anilino]ethanesulfonamide
CID 88514402

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-sulfamoylethyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2-sulfamoylethyl)anilino]acetic acid (CID 114385326) is 2-[N-(2-sulfamoylethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2-sulfamoylethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2-sulfamoylethyl)anilino]acetic acid is NS(=O)(=O)CCN(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-(2-sulfamoylethyl)anilino]acetic acid?
The InChIKey is YVPVEDZRWKOBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c11-17(15,16)7-6-12(8-10(13)14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H2,11,15,16).
What are the key properties of 2-[N-(2-sulfamoylethyl)anilino]acetic acid?
2-[N-(2-sulfamoylethyl)anilino]acetic acid has a molecular weight of 258.30 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-sulfamoylethyl)anilino]acetic acid is sourced from PubChem (CID 114385326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).