4-acetamido-2-bromobenzenesulfonyl chloride

C8H7BrClNO3S — CID 16773488

IUPAC4-acetamido-2-bromobenzenesulfonyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C8H7BrClNO3S/c1-5(12)11-6-2-3-8(7(9)4-6)15(10,13)14/h2-4H,1H3,(H,11,12)
InChIKeyJRLPTFYGXMPDHL-UHFFFAOYSA-N
MW312.57 g/mol
LogP2.34
Rot. Bonds2

About 4-acetamido-2-bromobenzenesulfonyl chloride

4-acetamido-2-bromobenzenesulfonyl chloride (PubChem CID 16773488) has the molecular formula C8H7BrClNO3S and a molecular weight of 312.57 g/mol. Its IUPAC name is 4-acetamido-2-bromobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-acetamido-2-bromobenzenesulfonyl chloride
PubChem CID16773488
Molecular FormulaC8H7BrClNO3S
Molecular Weight312.57 g/mol
Exact Mass310.90
IUPAC Name4-acetamido-2-bromobenzenesulfonyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C8H7BrClNO3S/c1-5(12)11-6-2-3-8(7(9)4-6)15(10,13)14/h2-4H,1H3,(H,11,12)
InChIKeyJRLPTFYGXMPDHL-UHFFFAOYSA-N
XLogP2.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-bromobenzenesulfonyl chloride?
The IUPAC name of 4-acetamido-2-bromobenzenesulfonyl chloride (CID 16773488) is 4-acetamido-2-bromobenzenesulfonyl chloride.
What is the SMILES notation for 4-acetamido-2-bromobenzenesulfonyl chloride?
The canonical SMILES for 4-acetamido-2-bromobenzenesulfonyl chloride is CC(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1.
What is the InChIKey of 4-acetamido-2-bromobenzenesulfonyl chloride?
The InChIKey is JRLPTFYGXMPDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO3S/c1-5(12)11-6-2-3-8(7(9)4-6)15(10,13)14/h2-4H,1H3,(H,11,12).
What are the key properties of 4-acetamido-2-bromobenzenesulfonyl chloride?
4-acetamido-2-bromobenzenesulfonyl chloride has a molecular weight of 312.57 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-bromobenzenesulfonyl chloride is sourced from PubChem (CID 16773488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).