2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid

C14H20N2O5S — CID 133167657

IUPAC2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
SMILESCCNc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(=O)O
InChIInChI=1S/C14H20N2O5S/c1-2-15-13-6-5-11(8-12(13)14(17)18)22(19,20)16-9-10-4-3-7-21-10/h5-6,8,10,15-16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyBYWJQLASDLHABN-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.27
Rot. Bonds7

About 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid

2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 133167657) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
PubChem CID133167657
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
SMILESCCNc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(=O)O
InChIInChI=1S/C14H20N2O5S/c1-2-15-13-6-5-11(8-12(13)14(17)18)22(19,20)16-9-10-4-3-7-21-10/h5-6,8,10,15-16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyBYWJQLASDLHABN-UHFFFAOYSA-N
XLogP1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988830
2-(tert-butylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985396
2-[[(2S)-butan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985387
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99985657
2-(furan-2-ylmethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144397
5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
CID 99986424
5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99982875
2-(1-methoxypropan-2-ylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144403
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985676
2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid
CID 99984746

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid (CID 133167657) is 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid is CCNc1ccc(S(=O)(=O)NCC2CCCO2)cc1C(=O)O.
What is the InChIKey of 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is BYWJQLASDLHABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-2-15-13-6-5-11(8-12(13)14(17)18)22(19,20)16-9-10-4-3-7-21-10/h5-6,8,10,15-16H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid?
2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 328.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 133167657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).