6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate

C16H23N2O6S2- — CID 2555951

IUPAC6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate
SMILESO=C([O-])CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O6S2/c19-16(20)6-2-1-3-11-17-25(21,22)14-7-9-15(10-8-14)26(23,24)18-12-4-5-13-18/h7-10,17H,1-6,11-13H2,(H,19,20)/p-1
InChIKeyWUYSAHQQHNINMJ-UHFFFAOYSA-M
MW403.50 g/mol
LogP0.06
Rot. Bonds10

About 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate

6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate (PubChem CID 2555951) has the molecular formula C16H23N2O6S2- and a molecular weight of 403.50 g/mol. Its IUPAC name is 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate.

Molecular Properties

Compound Name6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate
PubChem CID2555951
Molecular FormulaC16H23N2O6S2-
Molecular Weight403.50 g/mol
Exact Mass403.10
IUPAC Name6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate
SMILESO=C([O-])CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O6S2/c19-16(20)6-2-1-3-11-17-25(21,22)14-7-9-15(10-8-14)26(23,24)18-12-4-5-13-18/h7-10,17H,1-6,11-13H2,(H,19,20)/p-1
InChIKeyWUYSAHQQHNINMJ-UHFFFAOYSA-M
XLogP0.06
TPSA123.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796461
4-(3-carboxylatopropylsulfamoyl)benzoate
CID 2141978
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
N-ethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]acetamide
CID 55365065
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
N-(3-aminopropyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 119962244
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126367
N-[3-(methylamino)propyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119964630

Frequently Asked Questions

What is the IUPAC name of 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate?
The IUPAC name of 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate (CID 2555951) is 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate.
What is the SMILES notation for 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate?
The canonical SMILES for 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate is O=C([O-])CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate?
The InChIKey is WUYSAHQQHNINMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N2O6S2/c19-16(20)6-2-1-3-11-17-25(21,22)14-7-9-15(10-8-14)26(23,24)18-12-4-5-13-18/h7-10,17H,1-6,11-13H2,(H,19,20)/p-1.
What are the key properties of 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate?
6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate has a molecular weight of 403.50 g/mol, XLogP of 0.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoate is sourced from PubChem (CID 2555951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).