2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid

C12H16N2O6S — CID 43352730

IUPAC2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(CO)C(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-2-13-21(19,20)9-5-3-8(4-6-9)11(16)14-10(7-15)12(17)18/h3-6,10,13,15H,2,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyKAQYDWCBTKTCDM-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.84
Rot. Bonds7

About 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid

2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid (PubChem CID 43352730) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
PubChem CID43352730
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(CO)C(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-2-13-21(19,20)9-5-3-8(4-6-9)11(16)14-10(7-15)12(17)18/h3-6,10,13,15H,2,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyKAQYDWCBTKTCDM-UHFFFAOYSA-N
XLogP-0.84
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119364417
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119361067
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
(2S)-3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]propanoic acid
CID 61152053
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid
CID 120693808

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid (CID 43352730) is 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid is CCNS(=O)(=O)c1ccc(C(=O)NC(CO)C(=O)O)cc1.
What is the InChIKey of 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is KAQYDWCBTKTCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-2-13-21(19,20)9-5-3-8(4-6-9)11(16)14-10(7-15)12(17)18/h3-6,10,13,15H,2,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 316.34 g/mol, XLogP of -0.84, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43352730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).