(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide

C13H19NO2S — CID 51169033

IUPAC(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11(2)12(3)14-17(15,16)10-9-13-7-5-4-6-8-13/h4-12,14H,1-3H3/b10-9+
InChIKeyIJHPKWJGHDCPCJ-MDZDMXLPSA-N
MW253.37 g/mol
LogP2.62
Rot. Bonds5

About (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide

(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide (PubChem CID 51169033) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
PubChem CID51169033
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11(2)12(3)14-17(15,16)10-9-13-7-5-4-6-8-13/h4-12,14H,1-3H3/b10-9+
InChIKeyIJHPKWJGHDCPCJ-MDZDMXLPSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
CID 167832614
(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
CID 43501665
2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
CID 78977229
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide
CID 60548872
[2-(carbamoylamino)-2-oxoethyl] 3-methyl-2-(2-phenylethenylsulfonylamino)butanoate
CID 3530916
2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide
CID 71846487
cyanomethyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849192

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide (CID 51169033) is (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide is CC(C)C(C)NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide?
The InChIKey is IJHPKWJGHDCPCJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(2)12(3)14-17(15,16)10-9-13-7-5-4-6-8-13/h4-12,14H,1-3H3/b10-9+.
What are the key properties of (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide?
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 51169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).