4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride

C13H20FNO4S2 — CID 114791690

IUPAC4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C13H20FNO4S2/c1-4-11(3)10-15(5-2)21(18,19)13-8-6-12(7-9-13)20(14,16)17/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPBOQTVMSLZERHG-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.40
Rot. Bonds7

About 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride

4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114791690) has the molecular formula C13H20FNO4S2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114791690
Molecular FormulaC13H20FNO4S2
Molecular Weight337.44 g/mol
Exact Mass337.08
IUPAC Name4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C13H20FNO4S2/c1-4-11(3)10-15(5-2)21(18,19)13-8-6-12(7-9-13)20(14,16)17/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPBOQTVMSLZERHG-UHFFFAOYSA-N
XLogP2.40
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79479965
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
N-ethyl-6-hydrazinyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79469996
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
4-[2-cyanoethyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791502
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79470283
4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 79481846
4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride (CID 114791690) is 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride is CCC(C)CN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is PBOQTVMSLZERHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S2/c1-4-11(3)10-15(5-2)21(18,19)13-8-6-12(7-9-13)20(14,16)17/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride?
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 337.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114791690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).