2-[(4-ethylphenyl)sulfonylamino]acetic acid

C10H13NO4S — CID 757399

IUPAC2-[(4-ethylphenyl)sulfonylamino]acetic acid
SMILESCCc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C10H13NO4S/c1-2-8-3-5-9(6-4-8)16(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyNEBZXTVUBKKTEG-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.61
Rot. Bonds5

About 2-[(4-ethylphenyl)sulfonylamino]acetic acid

2-[(4-ethylphenyl)sulfonylamino]acetic acid (PubChem CID 757399) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)sulfonylamino]acetic acid
PubChem CID757399
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[(4-ethylphenyl)sulfonylamino]acetic acid
SMILESCCc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C10H13NO4S/c1-2-8-3-5-9(6-4-8)16(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyNEBZXTVUBKKTEG-UHFFFAOYSA-N
XLogP0.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
2-[(4-ethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996082
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
2-[[4-(2-phenylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588445
2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
CID 110454054

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-ethylphenyl)sulfonylamino]acetic acid (CID 757399) is 2-[(4-ethylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-ethylphenyl)sulfonylamino]acetic acid is CCc1ccc(S(=O)(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)sulfonylamino]acetic acid?
The InChIKey is NEBZXTVUBKKTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-8-3-5-9(6-4-8)16(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-[(4-ethylphenyl)sulfonylamino]acetic acid?
2-[(4-ethylphenyl)sulfonylamino]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 757399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).