4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride

C7H4BrClFNO3S — CID 65368132

IUPAC4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
SMILESNC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br
InChIInChI=1S/C7H4BrClFNO3S/c8-4-2-5(10)6(15(9,13)14)1-3(4)7(11)12/h1-2H,(H2,11,12)
InChIKeyKJLCLHNURHAFEP-UHFFFAOYSA-N
MW316.54 g/mol
LogP1.61
Rot. Bonds2

About 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride

4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride (PubChem CID 65368132) has the molecular formula C7H4BrClFNO3S and a molecular weight of 316.54 g/mol. Its IUPAC name is 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
PubChem CID65368132
Molecular FormulaC7H4BrClFNO3S
Molecular Weight316.54 g/mol
Exact Mass314.88
IUPAC Name4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
SMILESNC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br
InChIInChI=1S/C7H4BrClFNO3S/c8-4-2-5(10)6(15(9,13)14)1-3(4)7(11)12/h1-2H,(H2,11,12)
InChIKeyKJLCLHNURHAFEP-UHFFFAOYSA-N
XLogP1.61
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylethyl 2-bromo-5-chlorosulfonyl-4-fluorobenzoate
CID 106206963
4-bromo-2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398773
4-bromo-5-chloro-2-fluorobenzenesulfonyl chloride
CID 50998068
oxolan-3-ylmethyl 2-bromo-5-chlorosulfonyl-4-fluorobenzoate
CID 65373752
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
4-bromo-2-fluoro-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368260
4-bromo-2-fluoro-5-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65371585
4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 102701096
methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
5-bromo-4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxy-2-fluorobenzenesulfonyl chloride
CID 82912586
5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride
CID 56604734
5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride (CID 65368132) is 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride is NC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br.
What is the InChIKey of 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride?
The InChIKey is KJLCLHNURHAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNO3S/c8-4-2-5(10)6(15(9,13)14)1-3(4)7(11)12/h1-2H,(H2,11,12).
What are the key properties of 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride?
4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride has a molecular weight of 316.54 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65368132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).