3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride

C13H11ClFNO4S2 — CID 16782218

IUPAC3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H11ClFNO4S2/c1-9-6-7-10(21(14,17)18)8-13(9)22(19,20)16-12-5-3-2-4-11(12)15/h2-8,16H,1H3
InChIKeyCXTLUDCSSBZQKN-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.86
Rot. Bonds4

About 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride

3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride (PubChem CID 16782218) has the molecular formula C13H11ClFNO4S2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
PubChem CID16782218
Molecular FormulaC13H11ClFNO4S2
Molecular Weight363.82 g/mol
Exact Mass362.98
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H11ClFNO4S2/c1-9-6-7-10(21(14,17)18)8-13(9)22(19,20)16-12-5-3-2-4-11(12)15/h2-8,16H,1H3
InChIKeyCXTLUDCSSBZQKN-UHFFFAOYSA-N
XLogP2.86
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 26950186
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride (CID 16782218) is 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride?
The InChIKey is CXTLUDCSSBZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO4S2/c1-9-6-7-10(21(14,17)18)8-13(9)22(19,20)16-12-5-3-2-4-11(12)15/h2-8,16H,1H3.
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride?
3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride has a molecular weight of 363.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 16782218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).