(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide

C12H16ClNO3S — CID 43501666

IUPAC(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
SMILESCCC(CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-2-12(9-15)14-18(16,17)8-7-10-3-5-11(13)6-4-10/h3-8,12,14-15H,2,9H2,1H3/b8-7+
InChIKeyLJYSLYDCIMMELE-BQYQJAHWSA-N
MW289.78 g/mol
LogP2.00
Rot. Bonds6

About (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide (PubChem CID 43501666) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
PubChem CID43501666
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
SMILESCCC(CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-2-12(9-15)14-18(16,17)8-7-10-3-5-11(13)6-4-10/h3-8,12,14-15H,2,9H2,1H3/b8-7+
InChIKeyLJYSLYDCIMMELE-BQYQJAHWSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E,2S,3R)-5-(4-chlorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexadecane-1-sulfonamide
CID 162654286
1-(4-chlorophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 2229068
1-(4-chlorophenyl)-N-(2-cyclohexyl-2-hydroxyethyl)methanesulfonamide
CID 56764329
1-(2-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 71973567
1-(3-chloro-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 75389790
1-(4-chloro-3-fluorophenyl)-N-propan-2-ylmethanesulfonamide
CID 126637041
1-(4-chlorophenyl)-N-ethylmethanesulfonamide
CID 15582723
1-(4-chlorophenyl)-N-(propan-2-yl)methanesulfonamide
CID 15582724
1-(4-fluorophenyl)-N-(1-hydroxybutan-2-yl)methanesulfonamide
CID 43501591
2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 43501615
1-(5-chloro-2-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)methanesulfonamide
CID 71908065
2-chloro-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzenesulfonamide
CID 75444467

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide (CID 43501666) is (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide is CCC(CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide?
The InChIKey is LJYSLYDCIMMELE-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-2-12(9-15)14-18(16,17)8-7-10-3-5-11(13)6-4-10/h3-8,12,14-15H,2,9H2,1H3/b8-7+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide is sourced from PubChem (CID 43501666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).