2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid

C14H19NO5S — CID 61434279

IUPAC2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-2-15(10-11-6-5-9-20-11)21(18,19)13-8-4-3-7-12(13)14(16)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyGKCZNJYYNFGEOJ-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.57
Rot. Bonds6

About 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid

2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid (PubChem CID 61434279) has the molecular formula C14H19NO5S and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
PubChem CID61434279
Molecular FormulaC14H19NO5S
Molecular Weight313.37 g/mol
Exact Mass313.10
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-2-15(10-11-6-5-9-20-11)21(18,19)13-8-4-3-7-12(13)14(16)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyGKCZNJYYNFGEOJ-UHFFFAOYSA-N
XLogP1.57
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
CID 51127502
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748534
4-amino-2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 102931122
2-methyl-3-[2-(oxolan-2-yl)ethylsulfonyl]benzoic acid
CID 81444904
2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]benzoic acid
CID 104548757
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 63743835
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid (CID 61434279) is 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid is CCN(CC1CCCO1)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid?
The InChIKey is GKCZNJYYNFGEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-15(10-11-6-5-9-20-11)21(18,19)13-8-4-3-7-12(13)14(16)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid?
2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid has a molecular weight of 313.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 61434279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).