N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C26H24FN3O4S — CID 55978374

IUPACN-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O4S/c27-19-11-9-17(10-12-19)25(31)28-23-7-2-8-24-22(23)6-3-15-30(24)26(32)18-4-1-5-21(16-18)35(33,34)29-20-13-14-20/h1-2,4-5,7-12,16,20,29H,3,6,13-15H2,(H,28,31)
InChIKeyDNXUAFNNQOCHPN-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.11
Rot. Bonds6

About N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 55978374) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID55978374
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC NameN-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O4S/c27-19-11-9-17(10-12-19)25(31)28-23-7-2-8-24-22(23)6-3-15-30(24)26(32)18-4-1-5-21(16-18)35(33,34)29-20-13-14-20/h1-2,4-5,7-12,16,20,29H,3,6,13-15H2,(H,28,31)
InChIKeyDNXUAFNNQOCHPN-UHFFFAOYSA-N
XLogP4.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
N-cyclopropyl-3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)benzenesulfonamide
CID 55359967
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55977869
N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548669
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 55978374) is N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is O=C(Nc1cccc2c1CCCN2C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is DNXUAFNNQOCHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c27-19-11-9-17(10-12-19)25(31)28-23-7-2-8-24-22(23)6-3-15-30(24)26(32)18-4-1-5-21(16-18)35(33,34)29-20-13-14-20/h1-2,4-5,7-12,16,20,29H,3,6,13-15H2,(H,28,31).
What are the key properties of N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 493.56 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 55978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).