(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide

C12H15NO2S — CID 15075079

IUPAC(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C12H15NO2S/c1-13(2)16(14,15)11-7-6-10-12-8-4-3-5-9-12/h3-11H,1-2H3/b10-6+,11-7+
InChIKeyXEMTZDBJOJTVSS-JMQWPVDRSA-N
MW237.32 g/mol
LogP2.10
Rot. Bonds4

About (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide

(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide (PubChem CID 15075079) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide
PubChem CID15075079
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C12H15NO2S/c1-13(2)16(14,15)11-7-6-10-12-8-4-3-5-9-12/h3-11H,1-2H3/b10-6+,11-7+
InChIKeyXEMTZDBJOJTVSS-JMQWPVDRSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide
CID 101130661
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
2-(4-bromophenyl)-N,N-dimethylethenesulfonamide
CID 171130245
N,N-dimethylmethanamine;stilbene
CID 174368184
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
CID 51169798

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide?
The IUPAC name of (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide (CID 15075079) is (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide.
What is the SMILES notation for (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide?
The canonical SMILES for (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide is CN(C)S(=O)(=O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide?
The InChIKey is XEMTZDBJOJTVSS-JMQWPVDRSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-13(2)16(14,15)11-7-6-10-12-8-4-3-5-9-12/h3-11H,1-2H3/b10-6+,11-7+.
What are the key properties of (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide?
(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide is sourced from PubChem (CID 15075079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).