4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride

C13H8BrClFNO3S — CID 43100856

IUPAC4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClFNO3S/c14-9-3-1-2-8(6-9)13(18)17-10-4-5-12(11(16)7-10)21(15,19)20/h1-7H,(H,17,18)
InChIKeyZLWPRFZHSZPXOP-UHFFFAOYSA-N
MW392.63 g/mol
LogP3.77
Rot. Bonds3

About 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride

4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride (PubChem CID 43100856) has the molecular formula C13H8BrClFNO3S and a molecular weight of 392.63 g/mol. Its IUPAC name is 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
PubChem CID43100856
Molecular FormulaC13H8BrClFNO3S
Molecular Weight392.63 g/mol
Exact Mass390.91
IUPAC Name4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClFNO3S/c14-9-3-1-2-8(6-9)13(18)17-10-4-5-12(11(16)7-10)21(15,19)20/h1-7H,(H,17,18)
InChIKeyZLWPRFZHSZPXOP-UHFFFAOYSA-N
XLogP3.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124846
N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride (CID 43100856) is 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
The InChIKey is ZLWPRFZHSZPXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO3S/c14-9-3-1-2-8(6-9)13(18)17-10-4-5-12(11(16)7-10)21(15,19)20/h1-7H,(H,17,18).
What are the key properties of 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride has a molecular weight of 392.63 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 43100856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).