3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C17H20FNO3S2 — CID 46458741

IUPAC3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1F
InChIInChI=1S/C17H20FNO3S2/c1-13-6-7-16(10-17(13)18)24(20,21)19(11-14-4-2-8-22-14)12-15-5-3-9-23-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3
InChIKeyJFLTYQUPQKUXOZ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.57
Rot. Bonds6

About 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 46458741) has the molecular formula C17H20FNO3S2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID46458741
Molecular FormulaC17H20FNO3S2
Molecular Weight369.48 g/mol
Exact Mass369.09
IUPAC Name3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1F
InChIInChI=1S/C17H20FNO3S2/c1-13-6-7-16(10-17(13)18)24(20,21)19(11-14-4-2-8-22-14)12-15-5-3-9-23-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3
InChIKeyJFLTYQUPQKUXOZ-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39982805
4-ethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55386619
4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 112823045
1-N-cyclohexyl-1-N-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 6551564
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 6971383
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 39982795
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1026590
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 131920000
5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 42955157

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 46458741) is 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is JFLTYQUPQKUXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S2/c1-13-6-7-16(10-17(13)18)24(20,21)19(11-14-4-2-8-22-14)12-15-5-3-9-23-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3.
What are the key properties of 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 369.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 46458741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).