3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride

C11H14FNO4S2 — CID 114791269

IUPAC3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H14FNO4S2/c1-2-13(9-6-7-9)19(16,17)11-5-3-4-10(8-11)18(12,14)15/h3-5,8-9H,2,6-7H2,1H3
InChIKeySIZCEIQOMHOPGM-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.52
Rot. Bonds5

About 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride

3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114791269) has the molecular formula C11H14FNO4S2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114791269
Molecular FormulaC11H14FNO4S2
Molecular Weight307.37 g/mol
Exact Mass307.03
IUPAC Name3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H14FNO4S2/c1-2-13(9-6-7-9)19(16,17)11-5-3-4-10(8-11)18(12,14)15/h3-5,8-9H,2,6-7H2,1H3
InChIKeySIZCEIQOMHOPGM-UHFFFAOYSA-N
XLogP1.52
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide
CID 166235680
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442
N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 79113661
3-[cyclopropylmethyl(propan-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114791530
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride (CID 114791269) is 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride is CCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is SIZCEIQOMHOPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S2/c1-2-13(9-6-7-9)19(16,17)11-5-3-4-10(8-11)18(12,14)15/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 307.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114791269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).