(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide

C12H17NO3S — CID 15212439

IUPAC(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide
SMILESCN(C)S(=O)(=O)CC(O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-13(2)17(15,16)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3/b9-8+
InChIKeyJEFREMNZPJRIRA-CMDGGOBGSA-N
MW255.34 g/mol
LogP0.95
Rot. Bonds5

About (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide

(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide (PubChem CID 15212439) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide
PubChem CID15212439
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide
SMILESCN(C)S(=O)(=O)CC(O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-13(2)17(15,16)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3/b9-8+
InChIKeyJEFREMNZPJRIRA-CMDGGOBGSA-N
XLogP0.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
sodium (E)-1-hydroxy-3-phenylprop-2-ene-1-sulfonic acid
CID 54600779
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,3R)-1-phenylhex-1-en-5-yn-3-ol
CID 11041183
(2Z,5S,6E)-5-hydroxy-7-phenylhepta-2,6-dienoic acid
CID 162860051
2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 71399566
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
CID 71601870
(E)-N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-phenylprop-2-enamide
CID 82104134

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide?
The IUPAC name of (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide (CID 15212439) is (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide.
What is the SMILES notation for (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide?
The canonical SMILES for (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide is CN(C)S(=O)(=O)CC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide?
The InChIKey is JEFREMNZPJRIRA-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-13(2)17(15,16)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3/b9-8+.
What are the key properties of (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide?
(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide is sourced from PubChem (CID 15212439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).