4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride

C12H18FNO4S2 — CID 114791222

IUPAC4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C12H18FNO4S2/c1-3-5-10-14(4-2)20(17,18)12-8-6-11(7-9-12)19(13,15)16/h6-9H,3-5,10H2,1-2H3
InChIKeyXLDVNYMZGIXWCD-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.16
Rot. Bonds7

About 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride

4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114791222) has the molecular formula C12H18FNO4S2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114791222
Molecular FormulaC12H18FNO4S2
Molecular Weight323.41 g/mol
Exact Mass323.07
IUPAC Name4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C12H18FNO4S2/c1-3-5-10-14(4-2)20(17,18)12-8-6-11(7-9-12)19(13,15)16/h6-9H,3-5,10H2,1-2H3
InChIKeyXLDVNYMZGIXWCD-UHFFFAOYSA-N
XLogP2.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyanoethyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791502
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60822914
2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
CID 62149065
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride (CID 114791222) is 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride is CCCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is XLDVNYMZGIXWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO4S2/c1-3-5-10-14(4-2)20(17,18)12-8-6-11(7-9-12)19(13,15)16/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride?
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 323.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114791222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).