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

C4H8ClNO2S — CID 139720177

IUPAC(Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide
SMILESC/C(=C/Cl)CS(N)(=O)=O
InChIInChI=1S/C4H8ClNO2S/c1-4(2-5)3-9(6,7)8/h2H,3H2,1H3,(H2,6,7,8)/b4-2-
InChIKeyONNLXPOTTBCFOL-RQOWECAXSA-N
MW169.63 g/mol
LogP0.42
Rot. Bonds2

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

(Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide (PubChem CID 139720177) has the molecular formula C4H8ClNO2S and a molecular weight of 169.63 g/mol. Its IUPAC name is (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name(Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide
PubChem CID139720177
Molecular FormulaC4H8ClNO2S
Molecular Weight169.63 g/mol
Exact Mass169.00
IUPAC Name(Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide
SMILESC/C(=C/Cl)CS(N)(=O)=O
InChIInChI=1S/C4H8ClNO2S/c1-4(2-5)3-9(6,7)8/h2H,3H2,1H3,(H2,6,7,8)/b4-2-
InChIKeyONNLXPOTTBCFOL-RQOWECAXSA-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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide?
The IUPAC name of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide (CID 139720177) is (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide.
What is the SMILES notation for (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide?
The canonical SMILES for (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide is C/C(=C/Cl)CS(N)(=O)=O.
What is the InChIKey of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide?
The InChIKey is ONNLXPOTTBCFOL-RQOWECAXSA-N. The full InChI is InChI=1S/C4H8ClNO2S/c1-4(2-5)3-9(6,7)8/h2H,3H2,1H3,(H2,6,7,8)/b4-2-.
What are the key properties of (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide?
(Z)-3-chloro-2-methylprop-2-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 (Z)-3-chloro-2-methylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 139720177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).