4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide

C20H17FN2O3S2 — CID 42470440

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCc2sccc2C1
InChIInChI=1S/C20H17FN2O3S2/c21-17-3-1-2-4-18(17)22-28(25,26)16-7-5-14(6-8-16)20(24)23-11-9-19-15(13-23)10-12-27-19/h1-8,10,12,22H,9,11,13H2
InChIKeyXVOVYYQOJCOVJZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.89
Rot. Bonds4

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 42470440) has the molecular formula C20H17FN2O3S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID42470440
Molecular FormulaC20H17FN2O3S2
Molecular Weight416.50 g/mol
Exact Mass416.07
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCc2sccc2C1
InChIInChI=1S/C20H17FN2O3S2/c21-17-3-1-2-4-18(17)22-28(25,26)16-7-5-14(6-8-16)20(24)23-11-9-19-15(13-23)10-12-27-19/h1-8,10,12,22H,9,11,13H2
InChIKeyXVOVYYQOJCOVJZ-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide
CID 41265423
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzenesulfonamide
CID 31812524
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
4-(1,4-diazepane-1-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
CID 119418280
(2-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62648438
4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
CID 119486880
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55455849
4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487866
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 42470301

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide (CID 42470440) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is XVOVYYQOJCOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S2/c21-17-3-1-2-4-18(17)22-28(25,26)16-7-5-14(6-8-16)20(24)23-11-9-19-15(13-23)10-12-27-19/h1-8,10,12,22H,9,11,13H2.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 42470440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).