N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C26H23FN4O3S — CID 71796450

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C26H23FN4O3S/c1-30-25(17-23(29-30)18-9-12-20(27)13-10-18)26(32)28-21-14-11-19-6-5-15-31(24(19)16-21)35(33,34)22-7-3-2-4-8-22/h2-4,7-14,16-17H,5-6,15H2,1H3,(H,28,32)
InChIKeyRIVANOMBULUDFM-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 71796450) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID71796450
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C26H23FN4O3S/c1-30-25(17-23(29-30)18-9-12-20(27)13-10-18)26(32)28-21-14-11-19-6-5-15-31(24(19)16-21)35(33,34)22-7-3-2-4-8-22/h2-4,7-14,16-17H,5-6,15H2,1H3,(H,28,32)
InChIKeyRIVANOMBULUDFM-UHFFFAOYSA-N
XLogP4.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 71796450) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is RIVANOMBULUDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-30-25(17-23(29-30)18-9-12-20(27)13-10-18)26(32)28-21-14-11-19-6-5-15-31(24(19)16-21)35(33,34)22-7-3-2-4-8-22/h2-4,7-14,16-17H,5-6,15H2,1H3,(H,28,32).
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71796450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).