3-phenylbut-2-ene-2-sulfonamide

C10H13NO2S — CID 54510026

IUPAC3-phenylbut-2-ene-2-sulfonamide
SMILESCC(=C(C)S(N)(=O)=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-8(9(2)14(11,12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,11,12,13)
InChIKeyYILJJUSYDNSUIB-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.73
Rot. Bonds2

About 3-phenylbut-2-ene-2-sulfonamide

3-phenylbut-2-ene-2-sulfonamide (PubChem CID 54510026) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-phenylbut-2-ene-2-sulfonamide.

Molecular Properties

Compound Name3-phenylbut-2-ene-2-sulfonamide
PubChem CID54510026
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-phenylbut-2-ene-2-sulfonamide
SMILESCC(=C(C)S(N)(=O)=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-8(9(2)14(11,12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,11,12,13)
InChIKeyYILJJUSYDNSUIB-UHFFFAOYSA-N
XLogP1.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbut-2-ene-2-sulfonamide?
The IUPAC name of 3-phenylbut-2-ene-2-sulfonamide (CID 54510026) is 3-phenylbut-2-ene-2-sulfonamide.
What is the SMILES notation for 3-phenylbut-2-ene-2-sulfonamide?
The canonical SMILES for 3-phenylbut-2-ene-2-sulfonamide is CC(=C(C)S(N)(=O)=O)c1ccccc1.
What is the InChIKey of 3-phenylbut-2-ene-2-sulfonamide?
The InChIKey is YILJJUSYDNSUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8(9(2)14(11,12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,11,12,13).
What are the key properties of 3-phenylbut-2-ene-2-sulfonamide?
3-phenylbut-2-ene-2-sulfonamide has a molecular weight of 211.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbut-2-ene-2-sulfonamide is sourced from PubChem (CID 54510026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).