4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid

C12H16N2O4S — CID 102931496

IUPAC4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid
SMILESC=CCN(CC)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-3-7-14(4-2)19(17,18)11-8-9(13)5-6-10(11)12(15)16/h3,5-6,8H,1,4,7,13H2,2H3,(H,15,16)
InChIKeyZUCYFAWPLKBZGM-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.16
Rot. Bonds6

About 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid

4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid (PubChem CID 102931496) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid
PubChem CID102931496
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid
SMILESC=CCN(CC)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-3-7-14(4-2)19(17,18)11-8-9(13)5-6-10(11)12(15)16/h3,5-6,8H,1,4,7,13H2,2H3,(H,15,16)
InChIKeyZUCYFAWPLKBZGM-UHFFFAOYSA-N
XLogP1.16
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
4-amino-2-[cyclopropylmethyl(propyl)sulfamoyl]benzoic acid
CID 102930997
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 102930878
4-amino-2-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 102931253
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
4-amino-2-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 102931570
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate
CID 102931502
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid (CID 102931496) is 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid is C=CCN(CC)S(=O)(=O)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid?
The InChIKey is ZUCYFAWPLKBZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-7-14(4-2)19(17,18)11-8-9(13)5-6-10(11)12(15)16/h3,5-6,8H,1,4,7,13H2,2H3,(H,15,16).
What are the key properties of 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid?
4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 102931496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).