4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride

C12H16FNO5S2 — CID 114958460

IUPAC4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCOCC1
InChIInChI=1S/C12H16FNO5S2/c1-12(6-8-19-9-7-12)14-21(17,18)11-4-2-10(3-5-11)20(13,15)16/h2-5,14H,6-9H2,1H3
InChIKeyYSPXBMSEXHVLNN-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.19
Rot. Bonds4

About 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride

4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114958460) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114958460
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCOCC1
InChIInChI=1S/C12H16FNO5S2/c1-12(6-8-19-9-7-12)14-21(17,18)11-4-2-10(3-5-11)20(13,15)16/h2-5,14H,6-9H2,1H3
InChIKeyYSPXBMSEXHVLNN-UHFFFAOYSA-N
XLogP1.19
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
CID 114613753
N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138044685
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 106833516
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 107091667
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride (CID 114958460) is 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride is CC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCOCC1.
What is the InChIKey of 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is YSPXBMSEXHVLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c1-12(6-8-19-9-7-12)14-21(17,18)11-4-2-10(3-5-11)20(13,15)16/h2-5,14H,6-9H2,1H3.
What are the key properties of 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride?
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 337.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114958460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).