N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide

C17H20ClFN2O2S2 — CID 112811439

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
SMILESCCC1c2ccsc2CCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H20ClFN2O2S2/c1-3-16-12-8-10-24-17(12)7-9-21(16)25(22,23)20(2)11-13-14(18)5-4-6-15(13)19/h4-6,8,10,16H,3,7,9,11H2,1-2H3
InChIKeyAMTSMURJHAGXTN-UHFFFAOYSA-N
MW402.94 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide (PubChem CID 112811439) has the molecular formula C17H20ClFN2O2S2 and a molecular weight of 402.94 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
PubChem CID112811439
Molecular FormulaC17H20ClFN2O2S2
Molecular Weight402.94 g/mol
Exact Mass402.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
SMILESCCC1c2ccsc2CCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H20ClFN2O2S2/c1-3-16-12-8-10-24-17(12)7-9-21(16)25(22,23)20(2)11-13-14(18)5-4-6-15(13)19/h4-6,8,10,16H,3,7,9,11H2,1-2H3
InChIKeyAMTSMURJHAGXTN-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide
CID 112811416
5-(2-chloroethylsulfonyl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107651076
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999393
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 18142165
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 107650651
1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 112820138
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 79580202
5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one
CID 60959467
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134040898
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937
4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71850785

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide (CID 112811439) is N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide is CCC1c2ccsc2CCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
The InChIKey is AMTSMURJHAGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O2S2/c1-3-16-12-8-10-24-17(12)7-9-21(16)25(22,23)20(2)11-13-14(18)5-4-6-15(13)19/h4-6,8,10,16H,3,7,9,11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide has a molecular weight of 402.94 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide is sourced from PubChem (CID 112811439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).