(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide

C12H17NO3S — CID 43501665

IUPAC(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
SMILESCCC(CO)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-2-12(10-14)13-17(15,16)9-8-11-6-4-3-5-7-11/h3-9,12-14H,2,10H2,1H3/b9-8+
InChIKeyGTOAKGQLOBOWEW-CMDGGOBGSA-N
MW255.34 g/mol
LogP1.35
Rot. Bonds6

About (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide

(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide (PubChem CID 43501665) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
PubChem CID43501665
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
SMILESCCC(CO)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-2-12(10-14)13-17(15,16)9-8-11-6-4-3-5-7-11/h3-9,12-14H,2,10H2,1H3/b9-8+
InChIKeyGTOAKGQLOBOWEW-CMDGGOBGSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
CID 43501666
(E)-2-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]ethenesulfonamide
CID 104981974
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
1-ethyl-3-[(E)-2-phenylethenyl]sulfonylthiourea
CID 121224456
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
2-[[(E)-3-phenylprop-2-enyl]amino]butan-1-ol;hydrochloride
CID 17290182

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide (CID 43501665) is (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide is CCC(CO)NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide?
The InChIKey is GTOAKGQLOBOWEW-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-12(10-14)13-17(15,16)9-8-11-6-4-3-5-7-11/h3-9,12-14H,2,10H2,1H3/b9-8+.
What are the key properties of (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide?
(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 43501665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).