2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid

C11H14N2O5S — CID 16768249

IUPAC2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-2-13-19(17,18)9-5-3-8(4-6-9)11(16)12-7-10(14)15/h3-6,13H,2,7H2,1H3,(H,12,16)(H,14,15)
InChIKeyDXVXDTNBGZDOCV-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.20
Rot. Bonds6

About 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid

2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 16768249) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID16768249
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-2-13-19(17,18)9-5-3-8(4-6-9)11(16)12-7-10(14)15/h3-6,13H,2,7H2,1H3,(H,12,16)(H,14,15)
InChIKeyDXVXDTNBGZDOCV-UHFFFAOYSA-N
XLogP-0.20
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
CID 60812284
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
4-(ethylsulfamoyl)-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441337
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119204037
2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 45307830
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid (CID 16768249) is 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid is CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is DXVXDTNBGZDOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-2-13-19(17,18)9-5-3-8(4-6-9)11(16)12-7-10(14)15/h3-6,13H,2,7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid?
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 286.31 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 16768249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).