2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide

C16H13ClFNO4S — CID 15603191

IUPAC2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFNO4S/c1-23-15-5-3-2-4-11(15)8-9-24(21,22)19-16(20)13-7-6-12(18)10-14(13)17/h2-10H,1H3,(H,19,20)/b9-8+
InChIKeyREGMMTSSQQLABC-CMDGGOBGSA-N
MW369.80 g/mol
LogP3.22
Rot. Bonds5

About 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide

2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide (PubChem CID 15603191) has the molecular formula C16H13ClFNO4S and a molecular weight of 369.80 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
PubChem CID15603191
Molecular FormulaC16H13ClFNO4S
Molecular Weight369.80 g/mol
Exact Mass369.02
IUPAC Name2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFNO4S/c1-23-15-5-3-2-4-11(15)8-9-24(21,22)19-16(20)13-7-6-12(18)10-14(13)17/h2-10H,1H3,(H,19,20)/b9-8+
InChIKeyREGMMTSSQQLABC-CMDGGOBGSA-N
XLogP3.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603189
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
2-bromo-4-fluorobenzamide;(E)-2-(2-methoxyphenyl)ethenesulfonic acid
CID 87831780
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
CID 68979051
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
CID 15603087
1-methoxy-2-(2-methylsulfonylethenyl)benzene
CID 71427432
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide (CID 15603191) is 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide is COc1ccccc1/C=C/S(=O)(=O)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide?
The InChIKey is REGMMTSSQQLABC-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13ClFNO4S/c1-23-15-5-3-2-4-11(15)8-9-24(21,22)19-16(20)13-7-6-12(18)10-14(13)17/h2-10H,1H3,(H,19,20)/b9-8+.
What are the key properties of 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide?
2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide has a molecular weight of 369.80 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide is sourced from PubChem (CID 15603191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).