7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid

C13H17N3O4S — CID 115776570

IUPAC7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
SMILESN#Cc1ccc(S(=O)(=O)NCCCCCCC(=O)O)cn1
InChIInChI=1S/C13H17N3O4S/c14-9-11-6-7-12(10-15-11)21(19,20)16-8-4-2-1-3-5-13(17)18/h6-7,10,16H,1-5,8H2,(H,17,18)
InChIKeyLUJZOYZPHRITIQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.27
Rot. Bonds9

About 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid

7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid (PubChem CID 115776570) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid.

Molecular Properties

Compound Name7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
PubChem CID115776570
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
SMILESN#Cc1ccc(S(=O)(=O)NCCCCCCC(=O)O)cn1
InChIInChI=1S/C13H17N3O4S/c14-9-11-6-7-12(10-15-11)21(19,20)16-8-4-2-1-3-5-13(17)18/h6-7,10,16H,1-5,8H2,(H,17,18)
InChIKeyLUJZOYZPHRITIQ-UHFFFAOYSA-N
XLogP1.27
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.27
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

methyl 6-[(6-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 115602651
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930
6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
CID 115487217
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606

Frequently Asked Questions

What is the IUPAC name of 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid?
The IUPAC name of 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid (CID 115776570) is 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid.
What is the SMILES notation for 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid?
The canonical SMILES for 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid is N#Cc1ccc(S(=O)(=O)NCCCCCCC(=O)O)cn1.
What is the InChIKey of 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid?
The InChIKey is LUJZOYZPHRITIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c14-9-11-6-7-12(10-15-11)21(19,20)16-8-4-2-1-3-5-13(17)18/h6-7,10,16H,1-5,8H2,(H,17,18).
What are the key properties of 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid?
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid has a molecular weight of 311.36 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid is sourced from PubChem (CID 115776570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).