3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride

C10H11ClFNO4S2 — CID 62397353

IUPAC3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC1CC1NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H11ClFNO4S2/c1-6-4-9(6)13-19(16,17)10-3-2-7(5-8(10)12)18(11,14)15/h2-3,5-6,9,13H,4H2,1H3
InChIKeyFMZRRUMXYMVZHO-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.44
Rot. Bonds4

About 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride

3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride (PubChem CID 62397353) has the molecular formula C10H11ClFNO4S2 and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
PubChem CID62397353
Molecular FormulaC10H11ClFNO4S2
Molecular Weight327.79 g/mol
Exact Mass326.98
IUPAC Name3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC1CC1NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H11ClFNO4S2/c1-6-4-9(6)13-19(16,17)10-3-2-7(5-8(10)12)18(11,14)15/h2-3,5-6,9,13H,4H2,1H3
InChIKeyFMZRRUMXYMVZHO-UHFFFAOYSA-N
XLogP1.44
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 79189663
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116791808
5-amino-3-chloro-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 55071329
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
CID 79178105

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride (CID 62397353) is 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride is CC1CC1NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride?
The InChIKey is FMZRRUMXYMVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S2/c1-6-4-9(6)13-19(16,17)10-3-2-7(5-8(10)12)18(11,14)15/h2-3,5-6,9,13H,4H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride?
3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride has a molecular weight of 327.79 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 62397353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).