N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide

C9H12Cl2N4O2S — CID 114049141

IUPACN-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ncnc(Cl)c1Cl)N1CCCCC1
InChIInChI=1S/C9H12Cl2N4O2S/c10-7-8(11)12-6-13-9(7)14-18(16,17)15-4-2-1-3-5-15/h6H,1-5H2,(H,12,13,14)
InChIKeyVSFXAXYGSLMGMG-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.93
Rot. Bonds3

About N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide

N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide (PubChem CID 114049141) has the molecular formula C9H12Cl2N4O2S and a molecular weight of 311.19 g/mol. Its IUPAC name is N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide
PubChem CID114049141
Molecular FormulaC9H12Cl2N4O2S
Molecular Weight311.19 g/mol
Exact Mass310.01
IUPAC NameN-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ncnc(Cl)c1Cl)N1CCCCC1
InChIInChI=1S/C9H12Cl2N4O2S/c10-7-8(11)12-6-13-9(7)14-18(16,17)15-4-2-1-3-5-15/h6H,1-5H2,(H,12,13,14)
InChIKeyVSFXAXYGSLMGMG-UHFFFAOYSA-N
XLogP1.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide
CID 104821771
N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
CID 104821716
N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide
CID 114073756
2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456
N-(6-chloro-2-pyridinyl)piperidine-1-sulfonamide
CID 104821271
N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
CID 116798744
N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
CID 110705880
N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide
CID 133083516
5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114049200
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
N-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-sulfonamide
CID 104620883

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide (CID 114049141) is N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide is O=S(=O)(Nc1ncnc(Cl)c1Cl)N1CCCCC1.
What is the InChIKey of N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide?
The InChIKey is VSFXAXYGSLMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O2S/c10-7-8(11)12-6-13-9(7)14-18(16,17)15-4-2-1-3-5-15/h6H,1-5H2,(H,12,13,14).
What are the key properties of N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide?
N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide has a molecular weight of 311.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 114049141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).