7-sulfamoylheptanoic acid

C7H15NO4S — CID 56994493

IUPAC7-sulfamoylheptanoic acid
SMILESNS(=O)(=O)CCCCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c8-13(11,12)6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)(H2,8,11,12)
InChIKeyQZTOPAGRUAPHBS-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.31
Rot. Bonds7

About 7-sulfamoylheptanoic acid

7-sulfamoylheptanoic acid (PubChem CID 56994493) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 7-sulfamoylheptanoic acid.

Molecular Properties

Compound Name7-sulfamoylheptanoic acid
PubChem CID56994493
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name7-sulfamoylheptanoic acid
SMILESNS(=O)(=O)CCCCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c8-13(11,12)6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)(H2,8,11,12)
InChIKeyQZTOPAGRUAPHBS-UHFFFAOYSA-N
XLogP0.31
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-sulfamoylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Sulfamoylpentanoic acid
CID 21241989
6-Sulfamoylhexanoic acid
CID 57225123
4-Sulfamoylcyclohexane-1-carboxylic acid
CID 124252697
11-Sulfoundecanoic acid
CID 13816635
11-Chlorosulfonylundecanoic acid
CID 121217358
11-(Hydrazinesulfonyl)undecanoic acid
CID 277464
6-Sulfohexanoic acid
CID 13338203
9-Sulfononanoic acid
CID 18172929
2-Sulfododecanedioic acid
CID 18925926
3-Sulfohexanedioic acid
CID 18957605
7-Sulfooxysulfanylheptanoic acid
CID 23326294
3,10-Disulfamoyldodecanedioic acid
CID 23461301

Frequently Asked Questions

What is the IUPAC name of 7-sulfamoylheptanoic acid?
The IUPAC name of 7-sulfamoylheptanoic acid (CID 56994493) is 7-sulfamoylheptanoic acid.
What is the SMILES notation for 7-sulfamoylheptanoic acid?
The canonical SMILES for 7-sulfamoylheptanoic acid is NS(=O)(=O)CCCCCCC(=O)O.
What is the InChIKey of 7-sulfamoylheptanoic acid?
The InChIKey is QZTOPAGRUAPHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c8-13(11,12)6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)(H2,8,11,12).
What are the key properties of 7-sulfamoylheptanoic acid?
7-sulfamoylheptanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-sulfamoylheptanoic acid is sourced from PubChem (CID 56994493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).