3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride

C12H16FNO4S2 — CID 114958356

IUPAC3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CCCC1
InChIInChI=1S/C12H16FNO4S2/c1-12(7-2-3-8-12)14-20(17,18)11-6-4-5-10(9-11)19(13,15)16/h4-6,9,14H,2-3,7-8H2,1H3
InChIKeyRDPKKDBBFTXIQM-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.96
Rot. Bonds4

About 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride

3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114958356) has the molecular formula C12H16FNO4S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114958356
Molecular FormulaC12H16FNO4S2
Molecular Weight321.39 g/mol
Exact Mass321.05
IUPAC Name3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CCCC1
InChIInChI=1S/C12H16FNO4S2/c1-12(7-2-3-8-12)14-20(17,18)11-6-4-5-10(9-11)19(13,15)16/h4-6,9,14H,2-3,7-8H2,1H3
InChIKeyRDPKKDBBFTXIQM-UHFFFAOYSA-N
XLogP1.96
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
CID 113485339
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
3-[(1-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113485525
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677
3-[(1,4-dimethylcyclohexyl)methylsulfamoyl]benzenesulfonyl fluoride
CID 166407096
2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 63288656

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride (CID 114958356) is 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride is CC1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CCCC1.
What is the InChIKey of 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is RDPKKDBBFTXIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S2/c1-12(7-2-3-8-12)14-20(17,18)11-6-4-5-10(9-11)19(13,15)16/h4-6,9,14H,2-3,7-8H2,1H3.
What are the key properties of 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride?
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 321.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114958356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).