N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide

C29H31N3O2S — CID 148921004

IUPACN-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide
SMILESCC(c1ccccc1)C(C1CCCNC1)N(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C29H31N3O2S/c1-22(23-11-4-2-5-12-23)29(25-15-9-19-30-21-25)32(26-16-6-3-7-17-26)35(33,34)27-18-8-13-24-14-10-20-31-28(24)27/h2-8,10-14,16-18,20,22,25,29-30H,9,15,19,21H2,1H3
InChIKeyGDRAJWDBERTOJW-UHFFFAOYSA-N
MW485.65 g/mol
LogP5.60
Rot. Bonds7

About N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide

N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide (PubChem CID 148921004) has the molecular formula C29H31N3O2S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide
PubChem CID148921004
Molecular FormulaC29H31N3O2S
Molecular Weight485.65 g/mol
Exact Mass485.21
IUPAC NameN-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide
SMILESCC(c1ccccc1)C(C1CCCNC1)N(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C29H31N3O2S/c1-22(23-11-4-2-5-12-23)29(25-15-9-19-30-21-25)32(26-16-6-3-7-17-26)35(33,34)27-18-8-13-24-14-10-20-31-28(24)27/h2-8,10-14,16-18,20,22,25,29-30H,9,15,19,21H2,1H3
InChIKeyGDRAJWDBERTOJW-UHFFFAOYSA-N
XLogP5.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide
CID 22506630
N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide
CID 149434510
N-(3-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 120724842
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
1-phenyl-1-(2-phenyl-1-piperidin-3-ylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 158550416
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 146065089
N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide
CID 993437
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
N-quinolin-8-ylpiperidine-3-sulfonamide
CID 60728585
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
tert-butyl 2-(N-methylsulfonylanilino)-2-piperidin-3-ylacetate
CID 70119289
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide?
The IUPAC name of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide (CID 148921004) is N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide?
The canonical SMILES for N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide is CC(c1ccccc1)C(C1CCCNC1)N(c1ccccc1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide?
The InChIKey is GDRAJWDBERTOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2S/c1-22(23-11-4-2-5-12-23)29(25-15-9-19-30-21-25)32(26-16-6-3-7-17-26)35(33,34)27-18-8-13-24-14-10-20-31-28(24)27/h2-8,10-14,16-18,20,22,25,29-30H,9,15,19,21H2,1H3.
What are the key properties of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide?
N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide has a molecular weight of 485.65 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)quinoline-8-sulfonamide is sourced from PubChem (CID 148921004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).