4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride

C12H16FNO4S2 — CID 114791377

IUPAC4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C12H16FNO4S2/c1-9(10-3-4-10)14(2)20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-10H,3-4H2,1-2H3
InChIKeyFVZHLGQIQXVTNQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.76
Rot. Bonds5

About 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride

4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114791377) has the molecular formula C12H16FNO4S2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114791377
Molecular FormulaC12H16FNO4S2
Molecular Weight321.40 g/mol
Exact Mass321.05
IUPAC Name4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C12H16FNO4S2/c1-9(10-3-4-10)14(2)20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-10H,3-4H2,1-2H3
InChIKeyFVZHLGQIQXVTNQ-UHFFFAOYSA-N
XLogP1.76
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
CID 62145589
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 24677974
2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448
4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114791532
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 61003128
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride (CID 114791377) is 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride is CC(C1CC1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is FVZHLGQIQXVTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S2/c1-9(10-3-4-10)14(2)20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 321.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114791377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).