1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C16H19Cl2N5O3S — CID 55913799

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H19Cl2N5O3S/c1-10-14(15(18)22(2)21-10)27(25,26)23-7-3-4-11(9-23)16(24)20-13-6-5-12(17)8-19-13/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20,24)
InChIKeyDEAREKPSKMISAV-UHFFFAOYSA-N
MW432.33 g/mol
LogP2.47
Rot. Bonds4

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55913799) has the molecular formula C16H19Cl2N5O3S and a molecular weight of 432.33 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55913799
Molecular FormulaC16H19Cl2N5O3S
Molecular Weight432.33 g/mol
Exact Mass431.06
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H19Cl2N5O3S/c1-10-14(15(18)22(2)21-10)27(25,26)23-7-3-4-11(9-23)16(24)20-13-6-5-12(17)8-19-13/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20,24)
InChIKeyDEAREKPSKMISAV-UHFFFAOYSA-N
XLogP2.47
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
ethyl 4-[(3S)-3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 51961591
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine-3-carboxamide
CID 55914179
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide
CID 55860839
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
N-(5-chloro-2-pyridinyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564177
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 55913799) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is DEAREKPSKMISAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O3S/c1-10-14(15(18)22(2)21-10)27(25,26)23-7-3-4-11(9-23)16(24)20-13-6-5-12(17)8-19-13/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20,24).
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 432.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55913799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).