2-methyl-4-phenylbut-3-ene-2-sulfonamide

C11H15NO2S — CID 174855476

IUPAC2-methyl-4-phenylbut-3-ene-2-sulfonamide
SMILESCC(C)(C=Cc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-11(2,15(12,13)14)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13,14)
InChIKeyHIYPKUBVPUFMSB-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-4-phenylbut-3-ene-2-sulfonamide

2-methyl-4-phenylbut-3-ene-2-sulfonamide (PubChem CID 174855476) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-methyl-4-phenylbut-3-ene-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-4-phenylbut-3-ene-2-sulfonamide
PubChem CID174855476
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-methyl-4-phenylbut-3-ene-2-sulfonamide
SMILESCC(C)(C=Cc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-11(2,15(12,13)14)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13,14)
InChIKeyHIYPKUBVPUFMSB-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889
2-(2-phenylethenyl)benzenesulfonamide
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2-methyl-2,4-diphenylbut-3-enal
CID 154114517
stilbene;sulfuric acid
CID 67612140
(E)-2-ethenyl-2-methyl-4-phenylbut-3-enoic acid
CID 13110783
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
4-methyl-1-phenyl-3-propan-2-ylpent-1-en-3-amine
CID 123362141
(E,2S)-4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 67708369
4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 54024044
3,3-dicyclopropylbut-1-enylbenzene
CID 173296746
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
CID 66650377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylbut-3-ene-2-sulfonamide?
The IUPAC name of 2-methyl-4-phenylbut-3-ene-2-sulfonamide (CID 174855476) is 2-methyl-4-phenylbut-3-ene-2-sulfonamide.
What is the SMILES notation for 2-methyl-4-phenylbut-3-ene-2-sulfonamide?
The canonical SMILES for 2-methyl-4-phenylbut-3-ene-2-sulfonamide is CC(C)(C=Cc1ccccc1)S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-phenylbut-3-ene-2-sulfonamide?
The InChIKey is HIYPKUBVPUFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,15(12,13)14)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13,14).
What are the key properties of 2-methyl-4-phenylbut-3-ene-2-sulfonamide?
2-methyl-4-phenylbut-3-ene-2-sulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylbut-3-ene-2-sulfonamide is sourced from PubChem (CID 174855476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).