2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide

C13H9BrFNO3S2 — CID 68978602

IUPAC2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccsc1)c1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFNO3S2/c14-12-7-10(15)1-2-11(12)13(17)16-21(18,19)6-4-9-3-5-20-8-9/h1-8H,(H,16,17)
InChIKeyVDLGGGQQAOQIGA-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.38
Rot. Bonds4

About 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide

2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide (PubChem CID 68978602) has the molecular formula C13H9BrFNO3S2 and a molecular weight of 390.26 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
PubChem CID68978602
Molecular FormulaC13H9BrFNO3S2
Molecular Weight390.26 g/mol
Exact Mass388.92
IUPAC Name2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccsc1)c1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFNO3S2/c14-12-7-10(15)1-2-11(12)13(17)16-21(18,19)6-4-9-3-5-20-8-9/h1-8H,(H,16,17)
InChIKeyVDLGGGQQAOQIGA-UHFFFAOYSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 135362392
2-bromo-4-fluorobenzohydrazide
CID 16780865
N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69431084
2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603189
2-bromo-4-fluorobenzamide;thiophen-3-yl ethenesulfonate
CID 175254582
2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114912759
2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 39212841
2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
CID 106912100
2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603191
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide (CID 68978602) is 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide is O=C(NS(=O)(=O)C=Cc1ccsc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
The InChIKey is VDLGGGQQAOQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3S2/c14-12-7-10(15)1-2-11(12)13(17)16-21(18,19)6-4-9-3-5-20-8-9/h1-8H,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide?
2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide has a molecular weight of 390.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide is sourced from PubChem (CID 68978602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).