N-heptylethanesulfonamide

C9H21NO2S — CID 4087735

IUPACN-heptylethanesulfonamide
SMILESCCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C9H21NO2S/c1-3-5-6-7-8-9-10-13(11,12)4-2/h10H,3-9H2,1-2H3
InChIKeyWGNWMJVWXWYVLA-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.90
Rot. Bonds8

About N-heptylethanesulfonamide

N-heptylethanesulfonamide (PubChem CID 4087735) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-heptylethanesulfonamide.

Molecular Properties

Compound NameN-heptylethanesulfonamide
PubChem CID4087735
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-heptylethanesulfonamide
SMILESCCCCCCCNS(=O)(=O)CC
InChIInChI=1S/C9H21NO2S/c1-3-5-6-7-8-9-10-13(11,12)4-2/h10H,3-9H2,1-2H3
InChIKeyWGNWMJVWXWYVLA-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptylethanesulfonamide?
The IUPAC name of N-heptylethanesulfonamide (CID 4087735) is N-heptylethanesulfonamide.
What is the SMILES notation for N-heptylethanesulfonamide?
The canonical SMILES for N-heptylethanesulfonamide is CCCCCCCNS(=O)(=O)CC.
What is the InChIKey of N-heptylethanesulfonamide?
The InChIKey is WGNWMJVWXWYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-3-5-6-7-8-9-10-13(11,12)4-2/h10H,3-9H2,1-2H3.
What are the key properties of N-heptylethanesulfonamide?
N-heptylethanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylethanesulfonamide is sourced from PubChem (CID 4087735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).