N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide

C21H17N3O2S — CID 140579955

IUPACN-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Cc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C21H17N3O2S/c25-27(26,19-12-4-9-17-10-5-13-22-20(17)19)24-21-18(11-6-14-23-21)15-16-7-2-1-3-8-16/h1-14H,15H2,(H,23,24)
InChIKeyILVRHDJTUYUSGP-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.02
Rot. Bonds5

About N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide

N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide (PubChem CID 140579955) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
PubChem CID140579955
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Cc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C21H17N3O2S/c25-27(26,19-12-4-9-17-10-5-13-22-20(17)19)24-21-18(11-6-14-23-21)15-16-7-2-1-3-8-16/h1-14H,15H2,(H,23,24)
InChIKeyILVRHDJTUYUSGP-UHFFFAOYSA-N
XLogP4.02
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
CID 99819631
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide
CID 3730212
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-[3-(trifluoromethyl)-2-pyridinyl]naphthalene-1-sulfonamide
CID 167863794

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide?
The IUPAC name of N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide (CID 140579955) is N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide is O=S(=O)(Nc1ncccc1Cc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide?
The InChIKey is ILVRHDJTUYUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-27(26,19-12-4-9-17-10-5-13-22-20(17)19)24-21-18(11-6-14-23-21)15-16-7-2-1-3-8-16/h1-14H,15H2,(H,23,24).
What are the key properties of N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide?
N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide is sourced from PubChem (CID 140579955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).