N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide

C14H12N4O2S — CID 166368628

IUPACN-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCc1ncccn1)c1cccc2ncccc12
InChIInChI=1S/C14H12N4O2S/c19-21(20,18-10-14-16-8-3-9-17-14)13-6-1-5-12-11(13)4-2-7-15-12/h1-9,18H,10H2
InChIKeyUFPUWVYITDQTCY-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.50
Rot. Bonds4

About N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide

N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide (PubChem CID 166368628) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
PubChem CID166368628
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCc1ncccn1)c1cccc2ncccc12
InChIInChI=1S/C14H12N4O2S/c19-21(20,18-10-14-16-8-3-9-17-14)13-6-1-5-12-11(13)4-2-7-15-12/h1-9,18H,10H2
InChIKeyUFPUWVYITDQTCY-UHFFFAOYSA-N
XLogP1.50
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
CID 104774020
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide
CID 114749841
N-(piperidin-2-ylmethyl)quinoline-5-sulfonamide
CID 115752247
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide
CID 106243751
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide
CID 120666371

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide?
The IUPAC name of N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide (CID 166368628) is N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide?
The canonical SMILES for N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide is O=S(=O)(NCc1ncccn1)c1cccc2ncccc12.
What is the InChIKey of N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide?
The InChIKey is UFPUWVYITDQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-21(20,18-10-14-16-8-3-9-17-14)13-6-1-5-12-11(13)4-2-7-15-12/h1-9,18H,10H2.
What are the key properties of N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide?
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide is sourced from PubChem (CID 166368628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).