5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide

C15H20FNO2S2 — CID 91409933

IUPAC5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C15H20FNO2S2/c1-4-8-17(9-5-2)21(18,19)15-11(3)13-10-12(16)6-7-14(13)20-15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyFJVMDACEMPMFJC-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.16
Rot. Bonds6

About 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide

5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide (PubChem CID 91409933) has the molecular formula C15H20FNO2S2 and a molecular weight of 329.46 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide
PubChem CID91409933
Molecular FormulaC15H20FNO2S2
Molecular Weight329.46 g/mol
Exact Mass329.09
IUPAC Name5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C15H20FNO2S2/c1-4-8-17(9-5-2)21(18,19)15-11(3)13-10-12(16)6-7-14(13)20-15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyFJVMDACEMPMFJC-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(Dimethylamino)ethylthiomethyl]-2-sulfamoylbenzo[b]thiophene
CID 13922894
5-Fluoro-3-methylbenzo[b]thiophene-2-sulphonyl chloride
CID 2774586
4-Fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
CID 71755845
2-(Tert-butylsulfonyl)-3-(3-methylbenzo[b]thiophen-2-yl)acrylonitrile
CID 2824290
N,2-dimethyl-1-benzothiophene-3-sulfonamide
CID 71973591
4-[(5-Ethylthiophen-2-yl)sulfonyl]-7-(2-fluorophenyl)-1,4-thiazepane
CID 90630434
6-Fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
CID 71755911
(E)-2-tert-butylsulfonyl-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enenitrile
CID 5716267
5-Fluoro-3-methylbenzothiophene-2-sulfonic acid
CID 17855410
5-Vinylthiophene-3-sulfonic acid[2-(4-fluorophenyl)ethyl]-methyl-amide
CID 21098662
5-Fluoro-benzo[b]thiophene-3-sulphonic acid-methylamide
CID 22662723
1-[(5-Fluoro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-yl 4-methylbenzenesulfonate
CID 58712930

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide (CID 91409933) is 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide is CCCN(CCC)S(=O)(=O)c1sc2ccc(F)cc2c1C.
What is the InChIKey of 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide?
The InChIKey is FJVMDACEMPMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S2/c1-4-8-17(9-5-2)21(18,19)15-11(3)13-10-12(16)6-7-14(13)20-15/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide?
5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide has a molecular weight of 329.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N,N-dipropyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 91409933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).