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

C14H11BrClNO3S — CID 56670198

IUPAC2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyBYFAOQDSQYRKMW-UHFFFAOYSA-N
MW388.67 g/mol
LogP3.15
Rot. Bonds4

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

2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide (PubChem CID 56670198) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
PubChem CID56670198
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC Name2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyBYFAOQDSQYRKMW-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide (CID 56670198) is 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide is O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is BYFAOQDSQYRKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide?
2-(4-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-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 56670198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).