2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride

C13H8BrClFNO3S — CID 116814035

IUPAC2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H8BrClFNO3S/c14-8-5-6-9(10(15)7-8)13(18)17-11-3-1-2-4-12(11)21(16,19)20/h1-7H,(H,17,18)
InChIKeyIAVXXBCUFGPPOY-UHFFFAOYSA-N
MW392.63 g/mol
LogP4.01
Rot. Bonds3

About 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride

2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride (PubChem CID 116814035) has the molecular formula C13H8BrClFNO3S and a molecular weight of 392.63 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
PubChem CID116814035
Molecular FormulaC13H8BrClFNO3S
Molecular Weight392.63 g/mol
Exact Mass390.91
IUPAC Name2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H8BrClFNO3S/c14-8-5-6-9(10(15)7-8)13(18)17-11-3-1-2-4-12(11)21(16,19)20/h1-7H,(H,17,18)
InChIKeyIAVXXBCUFGPPOY-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814013
2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116813961
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116813960
2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride
CID 116814012
2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814224
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814244
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride (CID 116814035) is 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride is O=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride?
The InChIKey is IAVXXBCUFGPPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO3S/c14-8-5-6-9(10(15)7-8)13(18)17-11-3-1-2-4-12(11)21(16,19)20/h1-7H,(H,17,18).
What are the key properties of 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride?
2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride has a molecular weight of 392.63 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).