N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide

C11H18ClNO2S — CID 156769999

IUPACN-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide
SMILESC=CCN(C#CCCCCCl)S(=O)(=O)CC
InChIInChI=1S/C11H18ClNO2S/c1-3-10-13(16(14,15)4-2)11-8-6-5-7-9-12/h3H,1,4-7,9-10H2,2H3
InChIKeyGYAJXTWKSKBGKJ-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.19
Rot. Bonds7

About N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide

N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide (PubChem CID 156769999) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide.

Molecular Properties

Compound NameN-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide
PubChem CID156769999
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC NameN-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide
SMILESC=CCN(C#CCCCCCl)S(=O)(=O)CC
InChIInChI=1S/C11H18ClNO2S/c1-3-10-13(16(14,15)4-2)11-8-6-5-7-9-12/h3H,1,4-7,9-10H2,2H3
InChIKeyGYAJXTWKSKBGKJ-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide?
The IUPAC name of N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide (CID 156769999) is N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide.
What is the SMILES notation for N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide?
The canonical SMILES for N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide is C=CCN(C#CCCCCCl)S(=O)(=O)CC.
What is the InChIKey of N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide?
The InChIKey is GYAJXTWKSKBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S/c1-3-10-13(16(14,15)4-2)11-8-6-5-7-9-12/h3H,1,4-7,9-10H2,2H3.
What are the key properties of N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide?
N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide has a molecular weight of 263.79 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide is sourced from PubChem (CID 156769999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).