3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride

C12H15ClFNO4S2 — CID 114546471

IUPAC3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2F)C1
InChIInChI=1S/C12H15ClFNO4S2/c1-8-2-3-9(6-8)15-21(18,19)12-5-4-10(7-11(12)14)20(13,16)17/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyGCEQIYYAQAELJX-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.22
Rot. Bonds4

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

3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride (PubChem CID 114546471) has the molecular formula C12H15ClFNO4S2 and a molecular weight of 355.84 g/mol. Its IUPAC name is 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
PubChem CID114546471
Molecular FormulaC12H15ClFNO4S2
Molecular Weight355.84 g/mol
Exact Mass355.01
IUPAC Name3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2F)C1
InChIInChI=1S/C12H15ClFNO4S2/c1-8-2-3-9(6-8)15-21(18,19)12-5-4-10(7-11(12)14)20(13,16)17/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyGCEQIYYAQAELJX-UHFFFAOYSA-N
XLogP2.22
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
CID 62397353
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
N-[3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetamide
CID 114545154
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543624
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride (CID 114546471) is 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride is CC1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2F)C1.
What is the InChIKey of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride?
The InChIKey is GCEQIYYAQAELJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S2/c1-8-2-3-9(6-8)15-21(18,19)12-5-4-10(7-11(12)14)20(13,16)17/h4-5,7-9,15H,2-3,6H2,1H3.
What are the key properties of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride?
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride has a molecular weight of 355.84 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 114546471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).