2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide

C16H13ClFNO4S — CID 15603189

IUPAC2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide
SMILESCOc1cccc(/C=C/S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H13ClFNO4S/c1-23-13-4-2-3-11(9-13)7-8-24(21,22)19-16(20)14-6-5-12(18)10-15(14)17/h2-10H,1H3,(H,19,20)/b8-7+
InChIKeyMZNDXPOVGLXNKD-BQYQJAHWSA-N
MW369.80 g/mol
LogP3.22
Rot. Bonds5

About 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide

2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide (PubChem CID 15603189) 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-(3-methoxyphenyl)ethenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide
PubChem CID15603189
Molecular FormulaC16H13ClFNO4S
Molecular Weight369.80 g/mol
Exact Mass369.02
IUPAC Name2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide
SMILESCOc1cccc(/C=C/S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H13ClFNO4S/c1-23-13-4-2-3-11(9-13)7-8-24(21,22)19-16(20)14-6-5-12(18)10-15(14)17/h2-10H,1H3,(H,19,20)/b8-7+
InChIKeyMZNDXPOVGLXNKD-BQYQJAHWSA-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-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603191
4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide
CID 68978371
2-chloro-4-fluorobenzamide;2-(3-chlorophenyl)ethenesulfonic acid
CID 174564812
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 35929315
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
CID 69433232
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
CID 68978602
3,5-dichloro-4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol
CID 101118974
tert-butyl 2-[(4-fluorobenzoyl)amino]-4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 67342390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide (CID 15603189) is 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide is COc1cccc(/C=C/S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide?
The InChIKey is MZNDXPOVGLXNKD-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13ClFNO4S/c1-23-13-4-2-3-11(9-13)7-8-24(21,22)19-16(20)14-6-5-12(18)10-15(14)17/h2-10H,1H3,(H,19,20)/b8-7+.
What are the key properties of 2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide?
2-chloro-4-fluoro-N-[(E)-2-(3-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-(3-methoxyphenyl)ethenyl]sulfonylbenzamide is sourced from PubChem (CID 15603189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).