2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride

C13H8ClF2NO3S — CID 116813961

IUPAC2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cc1F
InChIInChI=1S/C13H8ClF2NO3S/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)
InChIKeyMTZZMTUBNFSWOS-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.39
Rot. Bonds3

About 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride

2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride (PubChem CID 116813961) has the molecular formula C13H8ClF2NO3S and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
PubChem CID116813961
Molecular FormulaC13H8ClF2NO3S
Molecular Weight331.73 g/mol
Exact Mass330.99
IUPAC Name2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cc1F
InChIInChI=1S/C13H8ClF2NO3S/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)
InChIKeyMTZZMTUBNFSWOS-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814035
2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814244
2-[(5-fluoro-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814212
2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride
CID 116814012
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116813960
2,5-dichloro-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984214
2-[(5-bromo-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814013
N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
CID 18082595
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride (CID 116813961) is 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride is O=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride?
The InChIKey is MTZZMTUBNFSWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO3S/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-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride?
2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride has a molecular weight of 331.73 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116813961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).