5-carbamoyl-2-fluorobenzenesulfonyl chloride

C7H5ClFNO3S — CID 65368033

IUPAC5-carbamoyl-2-fluorobenzenesulfonyl chloride
SMILESNC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H5ClFNO3S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3H,(H2,10,11)
InChIKeyUOUBWNXUJBPTAO-UHFFFAOYSA-N
MW237.64 g/mol
LogP0.85
Rot. Bonds2

About 5-carbamoyl-2-fluorobenzenesulfonyl chloride

5-carbamoyl-2-fluorobenzenesulfonyl chloride (PubChem CID 65368033) has the molecular formula C7H5ClFNO3S and a molecular weight of 237.64 g/mol. Its IUPAC name is 5-carbamoyl-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-carbamoyl-2-fluorobenzenesulfonyl chloride
PubChem CID65368033
Molecular FormulaC7H5ClFNO3S
Molecular Weight237.64 g/mol
Exact Mass236.97
IUPAC Name5-carbamoyl-2-fluorobenzenesulfonyl chloride
SMILESNC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H5ClFNO3S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3H,(H2,10,11)
InChIKeyUOUBWNXUJBPTAO-UHFFFAOYSA-N
XLogP0.85
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate
CID 90980810
5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride
CID 86048949
4-carbamoyl-2-methylbenzenesulfonyl chloride
CID 15922007
butyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65395773
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371150
butan-2-yl 3-chlorosulfonyl-4-fluorobenzoate
CID 65397892
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368132
(4-methylcyclohexyl) 3-chlorosulfonyl-4-fluorobenzoate
CID 65397537
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 5-carbamoyl-2-fluorobenzenesulfonyl chloride (CID 65368033) is 5-carbamoyl-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-carbamoyl-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 5-carbamoyl-2-fluorobenzenesulfonyl chloride is NC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-carbamoyl-2-fluorobenzenesulfonyl chloride?
The InChIKey is UOUBWNXUJBPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO3S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3H,(H2,10,11).
What are the key properties of 5-carbamoyl-2-fluorobenzenesulfonyl chloride?
5-carbamoyl-2-fluorobenzenesulfonyl chloride has a molecular weight of 237.64 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65368033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).