(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide

C4H8ClNO2S — CID 55301289

IUPAC(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide
SMILESC/C(=C\S(N)(=O)=O)CCl
InChIInChI=1S/C4H8ClNO2S/c1-4(2-5)3-9(6,7)8/h3H,2H2,1H3,(H2,6,7,8)/b4-3+
InChIKeyXLNQLKYXSZLRAN-ONEGZZNKSA-N
MW169.63 g/mol
LogP0.42
Rot. Bonds2

About (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide

(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide (PubChem CID 55301289) has the molecular formula C4H8ClNO2S and a molecular weight of 169.63 g/mol. Its IUPAC name is (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide
PubChem CID55301289
Molecular FormulaC4H8ClNO2S
Molecular Weight169.63 g/mol
Exact Mass169.00
IUPAC Name(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide
SMILESC/C(=C\S(N)(=O)=O)CCl
InChIInChI=1S/C4H8ClNO2S/c1-4(2-5)3-9(6,7)8/h3H,2H2,1H3,(H2,6,7,8)/b4-3+
InChIKeyXLNQLKYXSZLRAN-ONEGZZNKSA-N
XLogP0.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide?
The IUPAC name of (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide (CID 55301289) is (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide is C/C(=C\S(N)(=O)=O)CCl.
What is the InChIKey of (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide?
The InChIKey is XLNQLKYXSZLRAN-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8ClNO2S/c1-4(2-5)3-9(6,7)8/h3H,2H2,1H3,(H2,6,7,8)/b4-3+.
What are the key properties of (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide?
(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide has a molecular weight of 169.63 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-2-methylprop-1-ene-1-sulfonamide is sourced from PubChem (CID 55301289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).