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

C21H19FN2O3S2 — CID 55540941

IUPAC4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3sccc3C2c2ccccc2)c1
InChIInChI=1S/C21H19FN2O3S2/c1-23-29(26,27)15-7-8-18(22)17(13-15)21(25)24-11-9-19-16(10-12-28-19)20(24)14-5-3-2-4-6-14/h2-8,10,12-13,20,23H,9,11H2,1H3
InChIKeyBVIUTZURACJEKO-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.58
Rot. Bonds4

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

4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide (PubChem CID 55540941) has the molecular formula C21H19FN2O3S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
PubChem CID55540941
Molecular FormulaC21H19FN2O3S2
Molecular Weight430.53 g/mol
Exact Mass430.08
IUPAC Name4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3sccc3C2c2ccccc2)c1
InChIInChI=1S/C21H19FN2O3S2/c1-23-29(26,27)15-7-8-18(22)17(13-15)21(25)24-11-9-19-16(10-12-28-19)20(24)14-5-3-2-4-6-14/h2-8,10,12-13,20,23H,9,11H2,1H3
InChIKeyBVIUTZURACJEKO-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
CID 46438809
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429780
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
N-ethyl-4-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 33166182
(2-chloro-5-nitrophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429519
N-(2-cyanoethyl)-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
CID 55541242
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
(2-chloro-4-nitrophenyl)-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245809
N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 45376387
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
(4R)-N-(4-fluorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925621

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide (CID 55540941) is 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3sccc3C2c2ccccc2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
The InChIKey is BVIUTZURACJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S2/c1-23-29(26,27)15-7-8-18(22)17(13-15)21(25)24-11-9-19-16(10-12-28-19)20(24)14-5-3-2-4-6-14/h2-8,10,12-13,20,23H,9,11H2,1H3.
What are the key properties of 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55540941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).