2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide

C14H11BrClNO3S — CID 56659883

IUPAC2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(Cc1cccc(Br)c1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c15-11-3-1-2-10(8-11)9-14(18)17-21(19,20)13-6-4-12(16)5-7-13/h1-8H,9H2,(H,17,18)
InChIKeyFQYOEBSXPQCDHZ-UHFFFAOYSA-N
MW388.67 g/mol
LogP3.15
Rot. Bonds4

About 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide

2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide (PubChem CID 56659883) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
PubChem CID56659883
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC Name2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(Cc1cccc(Br)c1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c15-11-3-1-2-10(8-11)9-14(18)17-21(19,20)13-6-4-12(16)5-7-13/h1-8H,9H2,(H,17,18)
InChIKeyFQYOEBSXPQCDHZ-UHFFFAOYSA-N
XLogP3.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide
CID 11181788
4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
CID 11193260
2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11763954
3-bromo-N-(4-chlorophenyl)sulfonylbenzamide
CID 11245786
4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide
CID 11411362
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
(E)-3-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylprop-2-enamide
CID 56657995
4-chloro-N-[2-(4-chlorophenyl)acetyl]benzene-sulfonamide
CID 24179332
N-(benzenesulfonyl)-2-(4-chlorophenyl)acetamide
CID 47108694
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 56670198

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide (CID 56659883) is 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide is O=C(Cc1cccc(Br)c1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is FQYOEBSXPQCDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/c15-11-3-1-2-10(8-11)9-14(18)17-21(19,20)13-6-4-12(16)5-7-13/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 388.67 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 56659883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).