2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid

C14H21NO4S — CID 43440509

IUPAC2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-4-15(10-11(2)3)20(18,19)13-7-5-12(6-8-13)9-14(16)17/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyBYDUCXNNDGLXNV-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.98
Rot. Bonds7

About 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid

2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid (PubChem CID 43440509) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
PubChem CID43440509
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-4-15(10-11(2)3)20(18,19)13-7-5-12(6-8-13)9-14(16)17/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyBYDUCXNNDGLXNV-UHFFFAOYSA-N
XLogP1.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262
5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
2-[4-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]phenyl]acetic acid
CID 115985580
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627
2-[4-(3-methylbutylsulfonyl)phenyl]acetic acid
CID 43440376
2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
CID 43440466
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
CID 43440524
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid (CID 43440509) is 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid is CCN(CC(C)C)S(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is BYDUCXNNDGLXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-15(10-11(2)3)20(18,19)13-7-5-12(6-8-13)9-14(16)17/h5-8,11H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid?
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 299.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43440509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).