5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

C15H20FNO3S2 — CID 58713150

IUPAC5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC(C)O)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C15H20FNO3S2/c1-4-7-17(9-10(2)18)22(19,20)15-11(3)13-8-12(16)5-6-14(13)21-15/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyBBGWPCQSHXNFLR-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.13
Rot. Bonds6

About 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (PubChem CID 58713150) has the molecular formula C15H20FNO3S2 and a molecular weight of 345.46 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
PubChem CID58713150
Molecular FormulaC15H20FNO3S2
Molecular Weight345.46 g/mol
Exact Mass345.09
IUPAC Name5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC(C)O)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIInChI=1S/C15H20FNO3S2/c1-4-7-17(9-10(2)18)22(19,20)15-11(3)13-8-12(16)5-6-14(13)21-15/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyBBGWPCQSHXNFLR-UHFFFAOYSA-N
XLogP3.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-Fluoro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-yl 4-methylbenzenesulfonate
CID 58712930
5-fluoro-N-(2-hydroxybutyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713157
[(2S)-1-[[3-methyl-5-(trifluoromethyl)-1-benzothiophen-2-yl]sulfonyl-propylamino]propan-2-yl] methanesulfonate
CID 58713217
6-chloro-5-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713233
5-fluoro-N-(2-hydroxybutyl)-3-methyl-1-benzothiophene-2-sulfonamide
CID 58713257
1-[(5-Fluoro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propan-2-yl 4-methylbenzenesulfonate
CID 58713278
2-[(5-Fluoro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethyl 4-methylbenzenesulfonate
CID 58713296
N-[(2S)-2-hydroxypropyl]-3-methyl-5-(trifluoromethyl)-1-benzothiophene-2-sulfonamide
CID 58713367
N-[(2S)-2-hydroxypropyl]-3-methyl-N-propyl-5-(trifluoromethyl)-1-benzothiophene-2-sulfonamide
CID 58713403
5-fluoro-3-methyl-N-[2-(4-methylphenyl)sulfanyloxypropyl]-N-propyl-1-benzothiophene-2-sulfonamide
CID 70923268
[(2S)-1-[[3-methyl-5-(trifluoromethyl)-1-benzothiophen-2-yl]sulfonyl-propylamino]propan-2-yl] methanesulfinate
CID 71146193
1-[[3-Methyl-5-(trifluoromethyl)-1-benzothiophen-2-yl]sulfonyl-propylamino]propan-2-yl methanesulfonate
CID 72399412

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide (CID 58713150) is 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is CCCN(CC(C)O)S(=O)(=O)c1sc2ccc(F)cc2c1C.
What is the InChIKey of 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
The InChIKey is BBGWPCQSHXNFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S2/c1-4-7-17(9-10(2)18)22(19,20)15-11(3)13-8-12(16)5-6-14(13)21-15/h5-6,8,10,18H,4,7,9H2,1-3H3.
What are the key properties of 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide?
5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 58713150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).