N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide

C20H17FN2O3S2 — CID 7517785

IUPACN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccs1
InChIInChI=1S/C20H17FN2O3S2/c21-15-6-9-17(10-7-15)28(25,26)23-11-1-3-14-5-8-16(13-18(14)23)22-20(24)19-4-2-12-27-19/h2,4-10,12-13H,1,3,11H2,(H,22,24)
InChIKeyRDQHLUXJEASHJR-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide (PubChem CID 7517785) has the molecular formula C20H17FN2O3S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide
PubChem CID7517785
Molecular FormulaC20H17FN2O3S2
Molecular Weight416.50 g/mol
Exact Mass416.07
IUPAC NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccs1
InChIInChI=1S/C20H17FN2O3S2/c21-15-6-9-17(10-7-15)28(25,26)23-11-1-3-14-5-8-16(13-18(14)23)22-20(24)19-4-2-12-27-19/h2,4-10,12-13H,1,3,11H2,(H,22,24)
InChIKeyRDQHLUXJEASHJR-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide (CID 7517785) is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccs1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide?
The InChIKey is RDQHLUXJEASHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S2/c21-15-6-9-17(10-7-15)28(25,26)23-11-1-3-14-5-8-16(13-18(14)23)22-20(24)19-4-2-12-27-19/h2,4-10,12-13H,1,3,11H2,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide?
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-carboxamide is sourced from PubChem (CID 7517785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).