(E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide

C17H16ClNO3S — CID 158098836

IUPAC(E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide
SMILESCC(=O)CN(c1ccccc1)S(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClNO3S/c1-14(20)13-19(16-8-3-2-4-9-16)23(21,22)12-11-15-7-5-6-10-17(15)18/h2-12H,13H2,1H3/b12-11+
InChIKeyXMGBCGPUYUIZST-VAWYXSNFSA-N
MW349.84 g/mol
LogP3.74
Rot. Bonds6

About (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide

(E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide (PubChem CID 158098836) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide
PubChem CID158098836
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name(E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide
SMILESCC(=O)CN(c1ccccc1)S(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClNO3S/c1-14(20)13-19(16-8-3-2-4-9-16)23(21,22)12-11-15-7-5-6-10-17(15)18/h2-12H,13H2,1H3/b12-11+
InChIKeyXMGBCGPUYUIZST-VAWYXSNFSA-N
XLogP3.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23273586
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3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide
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(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate
CID 72685063
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
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[2-(N-methylanilino)-2-oxoethyl] 3-(2-chlorophenyl)prop-2-enoate
CID 4166731
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
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CID 86778158

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide?
The IUPAC name of (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide (CID 158098836) is (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide.
What is the SMILES notation for (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide?
The canonical SMILES for (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide is CC(=O)CN(c1ccccc1)S(=O)(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide?
The InChIKey is XMGBCGPUYUIZST-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-14(20)13-19(16-8-3-2-4-9-16)23(21,22)12-11-15-7-5-6-10-17(15)18/h2-12H,13H2,1H3/b12-11+.
What are the key properties of (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide?
(E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide is sourced from PubChem (CID 158098836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).