3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide

C9H16ClNO2S — CID 43653918

IUPAC3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCCCl
InChIInChI=1S/C9H16ClNO2S/c1-3-7-11(8-4-2)14(12,13)9-5-6-10/h3-4H,1-2,5-9H2
InChIKeyNQVRRILOWDIAOQ-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.62
Rot. Bonds8

About 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide

3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide (PubChem CID 43653918) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide
PubChem CID43653918
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCCCl
InChIInChI=1S/C9H16ClNO2S/c1-3-7-11(8-4-2)14(12,13)9-5-6-10/h3-4H,1-2,5-9H2
InChIKeyNQVRRILOWDIAOQ-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide (CID 43653918) is 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide is C=CCN(CC=C)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The InChIKey is NQVRRILOWDIAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-3-7-11(8-4-2)14(12,13)9-5-6-10/h3-4H,1-2,5-9H2.
What are the key properties of 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide has a molecular weight of 237.75 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide is sourced from PubChem (CID 43653918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).