N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

C20H16ClFN2O3S2 — CID 30840304

IUPACN-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C20H16ClFN2O3S2/c21-16-5-2-6-17(19(16)22)23-20(25)13-3-1-4-15(11-13)29(26,27)24-9-7-18-14(12-24)8-10-28-18/h1-6,8,10-11H,7,9,12H2,(H,23,25)
InChIKeyFWIDDEMGNZMTOX-UHFFFAOYSA-N
MW450.94 g/mol
LogP4.54
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (PubChem CID 30840304) has the molecular formula C20H16ClFN2O3S2 and a molecular weight of 450.94 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
PubChem CID30840304
Molecular FormulaC20H16ClFN2O3S2
Molecular Weight450.94 g/mol
Exact Mass450.03
IUPAC NameN-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C20H16ClFN2O3S2/c21-16-5-2-6-17(19(16)22)23-20(25)13-3-1-4-15(11-13)29(26,27)24-9-7-18-14(12-24)8-10-28-18/h1-6,8,10-11H,7,9,12H2,(H,23,25)
InChIKeyFWIDDEMGNZMTOX-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31507527
N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 46577722
N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 46586516
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 39268474
N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride
CID 119408776
3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 32919519
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(thiophen-3-ylmethyl)benzamide
CID 55688312
methyl 7-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]heptanoate
CID 46441919
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 37359392
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832035
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(2-phenoxyethyl)benzamide
CID 32935559
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55977376

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (CID 30840304) is N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is O=C(Nc1cccc(Cl)c1F)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The InChIKey is FWIDDEMGNZMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S2/c21-16-5-2-6-17(19(16)22)23-20(25)13-3-1-4-15(11-13)29(26,27)24-9-7-18-14(12-24)8-10-28-18/h1-6,8,10-11H,7,9,12H2,(H,23,25).
What are the key properties of N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide has a molecular weight of 450.94 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is sourced from PubChem (CID 30840304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).