(E)-3-chloroprop-2-ene-1-sulfonamide

C3H6ClNO2S — CID 115647640

IUPAC(E)-3-chloroprop-2-ene-1-sulfonamide
SMILESNS(=O)(=O)C/C=C/Cl
InChIInChI=1S/C3H6ClNO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H2,5,6,7)/b2-1+
InChIKeyMWLZUBQDPAKLED-OWOJBTEDSA-N
MW155.61 g/mol
LogP0.03
Rot. Bonds2

About (E)-3-chloroprop-2-ene-1-sulfonamide

(E)-3-chloroprop-2-ene-1-sulfonamide (PubChem CID 115647640) has the molecular formula C3H6ClNO2S and a molecular weight of 155.61 g/mol. Its IUPAC name is (E)-3-chloroprop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-3-chloroprop-2-ene-1-sulfonamide
PubChem CID115647640
Molecular FormulaC3H6ClNO2S
Molecular Weight155.61 g/mol
Exact Mass154.98
IUPAC Name(E)-3-chloroprop-2-ene-1-sulfonamide
SMILESNS(=O)(=O)C/C=C/Cl
InChIInChI=1S/C3H6ClNO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H2,5,6,7)/b2-1+
InChIKeyMWLZUBQDPAKLED-OWOJBTEDSA-N
XLogP0.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.61
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloroprop-2-ene-1-sulfonamide
CID 19437345
3-Chloroprop-2-ene-1-sulfonyl chloride
CID 55280158
CID 168158763
CID 168158763
3-Chloroprop-2-ene-1-sulfonyl fluoride
CID 165453289
(Z)-3-chloroprop-2-ene-1-sulfonamide
CID 11094865
(E)-3-chloroprop-2-ene-1-sulfonic acid
CID 11105607
1-Chloroprop-2-ene-1-sulfonic acid
CID 20364287
1-Chloroprop-2-ene-1-sulfonyl chloride
CID 21419212
3-Chloroprop-2-ene-1-sulfonic acid
CID 54527472
3-Chloroprop-2-ene-1-sulfinate
CID 57255098
CID 76223160
CID 76223160
Sodium 1-chloroprop-2-ene-1-sulfonate
CID 87991938

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloroprop-2-ene-1-sulfonamide?
The IUPAC name of (E)-3-chloroprop-2-ene-1-sulfonamide (CID 115647640) is (E)-3-chloroprop-2-ene-1-sulfonamide.
What is the SMILES notation for (E)-3-chloroprop-2-ene-1-sulfonamide?
The canonical SMILES for (E)-3-chloroprop-2-ene-1-sulfonamide is NS(=O)(=O)C/C=C/Cl.
What is the InChIKey of (E)-3-chloroprop-2-ene-1-sulfonamide?
The InChIKey is MWLZUBQDPAKLED-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H6ClNO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H2,5,6,7)/b2-1+.
What are the key properties of (E)-3-chloroprop-2-ene-1-sulfonamide?
(E)-3-chloroprop-2-ene-1-sulfonamide has a molecular weight of 155.61 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloroprop-2-ene-1-sulfonamide is sourced from PubChem (CID 115647640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).