5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid

C17H26N2O5S — CID 99985963

IUPAC5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid
SMILESCCOCCCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C17H26N2O5S/c1-2-24-12-6-9-18-25(22,23)14-7-8-16(15(13-14)17(20)21)19-10-4-3-5-11-19/h7-8,13,18H,2-6,9-12H2,1H3,(H,20,21)
InChIKeyKQEBGHAWORHVHY-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.08
Rot. Bonds9

About 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid

5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid (PubChem CID 99985963) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid
PubChem CID99985963
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid
SMILESCCOCCCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C17H26N2O5S/c1-2-24-12-6-9-18-25(22,23)14-7-8-16(15(13-14)17(20)21)19-10-4-3-5-11-19/h7-8,13,18H,2-6,9-12H2,1H3,(H,20,21)
InChIKeyKQEBGHAWORHVHY-UHFFFAOYSA-N
XLogP2.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99985967
5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428
2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981819
2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
CID 99981682
5-propylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
CID 59793636
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
2-(3-ethoxypropylamino)-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982109
2-(3-ethoxypropylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981822
2-(3-ethoxypropylamino)-5-(prop-2-enylsulfamoyl)benzoic acid
CID 99982757
N-butyl-3-nitro-4-piperidin-1-ylbenzenesulfonamide
CID 21205326
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The IUPAC name of 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid (CID 99985963) is 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid is CCOCCCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The InChIKey is KQEBGHAWORHVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-2-24-12-6-9-18-25(22,23)14-7-8-16(15(13-14)17(20)21)19-10-4-3-5-11-19/h7-8,13,18H,2-6,9-12H2,1H3,(H,20,21).
What are the key properties of 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid has a molecular weight of 370.47 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 99985963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).