3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride

C9H9ClFNO4S2 — CID 65036561

IUPAC3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C9H9ClFNO4S2/c10-17(13,14)7-3-4-8(11)9(5-7)18(15,16)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyOIOCVSBTZMBYQZ-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.19
Rot. Bonds4

About 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride

3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65036561) has the molecular formula C9H9ClFNO4S2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65036561
Molecular FormulaC9H9ClFNO4S2
Molecular Weight313.76 g/mol
Exact Mass312.96
IUPAC Name3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C9H9ClFNO4S2/c10-17(13,14)7-3-4-8(11)9(5-7)18(15,16)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyOIOCVSBTZMBYQZ-UHFFFAOYSA-N
XLogP1.19
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
CID 65033519
2-fluoro-5-methylsulfonyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982715
3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
CID 62397353
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
CID 119331434
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride (CID 65036561) is 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is OIOCVSBTZMBYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO4S2/c10-17(13,14)7-3-4-8(11)9(5-7)18(15,16)12-6-1-2-6/h3-6,12H,1-2H2.
What are the key properties of 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride?
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 313.76 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65036561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).