5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide

C15H17ClFNO4S2 — CID 21098654

IUPAC5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide
SMILESCOCOC(CN(C)S(=O)(=O)c1csc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H17ClFNO4S2/c1-18(24(19,20)13-7-15(16)23-9-13)8-14(22-10-21-2)11-3-5-12(17)6-4-11/h3-7,9,14H,8,10H2,1-2H3
InChIKeyDFTWKZMVJHGISI-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.52
Rot. Bonds8

About 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide

5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide (PubChem CID 21098654) has the molecular formula C15H17ClFNO4S2 and a molecular weight of 393.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide
PubChem CID21098654
Molecular FormulaC15H17ClFNO4S2
Molecular Weight393.89 g/mol
Exact Mass393.03
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide
SMILESCOCOC(CN(C)S(=O)(=O)c1csc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H17ClFNO4S2/c1-18(24(19,20)13-7-15(16)23-9-13)8-14(22-10-21-2)11-3-5-12(17)6-4-11/h3-7,9,14H,8,10H2,1-2H3
InChIKeyDFTWKZMVJHGISI-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(S)-2-(5-chloro-2-thienyl)-2-methoxyethyl][(2,5-difluorophenyl)methylsulfonyl]amine
CID 100729745
[(R)-2-(o-chlorophenyl)-2-methoxyethyl](2-thienylsulfonyl)amine
CID 99698253
Methyl 3-[[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-methylsulfamoyl]thiophene-2-carboxylate
CID 69416277
5-Chlorothiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide
CID 91325747
N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
CID 140032412
1-(5-Chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
CID 22579283
1-(5-Chlorothiophen-2-yl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53089842
3-[(2-Chloro-4-fluorobenzyl)oxy]-1-(2-thienylsulfonyl)azetane
CID 53089872
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168437
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-(2,5-difluorophenyl)methanesulfonamide
CID 91631053
5-chloro-N-[(2R)-2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 97553515
5-chloro-N-[(2S)-2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 97553516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide (CID 21098654) is 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide is COCOC(CN(C)S(=O)(=O)c1csc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is DFTWKZMVJHGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO4S2/c1-18(24(19,20)13-7-15(16)23-9-13)8-14(22-10-21-2)11-3-5-12(17)6-4-11/h3-7,9,14H,8,10H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide?
5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 393.89 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 21098654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).