2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid

C13H19NO5S — CID 60951844

IUPAC2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
SMILESCCCCN(CCO)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-2-3-8-14(9-10-15)20(18,19)12-7-5-4-6-11(12)13(16)17/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyJZWAWZCCCBVUSX-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.17
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid

2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid (PubChem CID 60951844) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
PubChem CID60951844
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
SMILESCCCCN(CCO)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-2-3-8-14(9-10-15)20(18,19)12-7-5-4-6-11(12)13(16)17/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyJZWAWZCCCBVUSX-UHFFFAOYSA-N
XLogP1.17
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
3-[bis(2-hydroxyethyl)sulfamoyl]-2-methylbenzoic acid
CID 63743669
3-(dipropylsulfamoyl)-2-methylbenzoic acid
CID 63742799
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
2-[bis(cyanomethyl)sulfamoyl]benzoic acid
CID 18071736
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
2-(2-carboxyphenyl)sulfonylbenzoic acid;tributyl(hexadecyl)phosphanium
CID 67856242
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid (CID 60951844) is 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid is CCCCN(CCO)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
The InChIKey is JZWAWZCCCBVUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-2-3-8-14(9-10-15)20(18,19)12-7-5-4-6-11(12)13(16)17/h4-7,15H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60951844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).