N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide

C22H20ClFN2O3S2 — CID 24607518

IUPACN-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1F)N1CCc2sccc2C1
InChIInChI=1S/C22H20ClFN2O3S2/c23-18-6-2-1-5-16(18)14-26(31(28,29)21-8-4-3-7-19(21)24)15-22(27)25-11-9-20-17(13-25)10-12-30-20/h1-8,10,12H,9,11,13-15H2
InChIKeyWRBIWMMMCNXUCX-UHFFFAOYSA-N
MW479.00 g/mol
LogP4.32
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide

N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide (PubChem CID 24607518) has the molecular formula C22H20ClFN2O3S2 and a molecular weight of 479.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
PubChem CID24607518
Molecular FormulaC22H20ClFN2O3S2
Molecular Weight479.00 g/mol
Exact Mass478.06
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1F)N1CCc2sccc2C1
InChIInChI=1S/C22H20ClFN2O3S2/c23-18-6-2-1-5-16(18)14-26(31(28,29)21-8-4-3-7-19(21)24)15-22(27)25-11-9-20-17(13-25)10-12-30-20/h1-8,10,12H,9,11,13-15H2
InChIKeyWRBIWMMMCNXUCX-UHFFFAOYSA-N
XLogP4.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 18142165
N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934324
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
1-[(2-chlorophenyl)methyl]-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111294860
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
2-[(2-chlorophenyl)methyl]-1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 111174329
N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2428178
N-[(2,4-dichlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1326939
3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide
CID 18142694
4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 126199833
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362939

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide (CID 24607518) is N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide is O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1F)N1CCc2sccc2C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
The InChIKey is WRBIWMMMCNXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S2/c23-18-6-2-1-5-16(18)14-26(31(28,29)21-8-4-3-7-19(21)24)15-22(27)25-11-9-20-17(13-25)10-12-30-20/h1-8,10,12H,9,11,13-15H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide has a molecular weight of 479.00 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 24607518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).