N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide

C14H12ClN5O2S — CID 122188250

IUPACN-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCN(/N=C/c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClN5O2S/c1-19(23(21,22)12-5-3-2-4-6-12)16-9-11-10-17-20-8-7-13(15)18-14(11)20/h2-10H,1H3/b16-9+
InChIKeyGGBHZIZDAKPCPO-CXUHLZMHSA-N
MW349.80 g/mol
LogP2.04
Rot. Bonds4

About N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide

N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide (PubChem CID 122188250) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
PubChem CID122188250
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC NameN-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCN(/N=C/c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClN5O2S/c1-19(23(21,22)12-5-3-2-4-6-12)16-9-11-10-17-20-8-7-13(15)18-14(11)20/h2-10H,1H3/b16-9+
InChIKeyGGBHZIZDAKPCPO-CXUHLZMHSA-N
XLogP2.04
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-N-(2-pyridin-2-yl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 90285421
2,6-dichloro-N-(8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
CID 76331192
N-[2-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)ethyl]-5-cyano-N,2-dimethylbenzenesulfonamide
CID 122188281
2-(Methylthio)-3-(phenylsulfonyl)pyrazolo-[1,5-a]pyrimidine
CID 53318300
3-(benzenesulfonyl)-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53319628
3-[(3-Chlorophenyl)sulfonyl]-2-(methylsulfanyl)pyrazolo[1,5-A]pyrimidine
CID 53320927
N-{3-[(3-Chlorophenyl)sulfonyl]pyrazolo[1,5-A]pyrimidin-2-YL}-N-methylamine
CID 53322935
3-[(4-Fluorophenyl)sulfonyl]-2-(methylsulfanyl)pyrazolo[1,5-A]pyrimidine
CID 53323599
3-(3-Chloro-4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 53323600
N-{3-[(4-Fluorophenyl)sulfonyl]pyrazolo[1,5-A]pyrimidin-2-YL}-N-methylamine
CID 53323601
2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
CID 15477107
2,6-dichloro-N-(5-methoxy-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
CID 76316614

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide (CID 122188250) is N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide is CN(/N=C/c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
The InChIKey is GGBHZIZDAKPCPO-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c1-19(23(21,22)12-5-3-2-4-6-12)16-9-11-10-17-20-8-7-13(15)18-14(11)20/h2-10H,1H3/b16-9+.
What are the key properties of N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide?
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 122188250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).