5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid

C15H21ClN2O4S — CID 139613509

IUPAC5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O4S/c16-12-4-3-5-14(10-12)23(21,22)17-13-7-9-18(11-13)8-2-1-6-15(19)20/h3-5,10,13,17H,1-2,6-9,11H2,(H,19,20)
InChIKeyIDGKDECKQYOHNH-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.95
Rot. Bonds8

About 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid

5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid (PubChem CID 139613509) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid
PubChem CID139613509
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O4S/c16-12-4-3-5-14(10-12)23(21,22)17-13-7-9-18(11-13)8-2-1-6-15(19)20/h3-5,10,13,17H,1-2,6-9,11H2,(H,19,20)
InChIKeyIDGKDECKQYOHNH-UHFFFAOYSA-N
XLogP1.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[(4-bromophenyl)sulfonylamino]pyrrolidin-1-yl]hexanoic acid
CID 139613526
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
3-[4-[(3-chlorophenyl)sulfonylamino]-4,5-dihydro-3H-benzo[cd]indol-1-yl]propanoic acid
CID 14347851
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
CID 139613468
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid?
The IUPAC name of 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid (CID 139613509) is 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid is O=C(O)CCCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid?
The InChIKey is IDGKDECKQYOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c16-12-4-3-5-14(10-12)23(21,22)17-13-7-9-18(11-13)8-2-1-6-15(19)20/h3-5,10,13,17H,1-2,6-9,11H2,(H,19,20).
What are the key properties of 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid?
5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid has a molecular weight of 360.86 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 139613509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).