N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide

C16H21ClN4O4S — CID 45244496

IUPACN-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC(CNC(=O)c2ccco2)C1
InChIInChI=1S/C16H21ClN4O4S/c1-11-14(15(17)20(2)19-11)26(23,24)21-7-3-5-12(10-21)9-18-16(22)13-6-4-8-25-13/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,18,22)
InChIKeyDCDYKBDQMILAOB-UHFFFAOYSA-N
MW400.89 g/mol
LogP1.81
Rot. Bonds5

About N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide

N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 45244496) has the molecular formula C16H21ClN4O4S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID45244496
Molecular FormulaC16H21ClN4O4S
Molecular Weight400.89 g/mol
Exact Mass400.10
IUPAC NameN-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC(CNC(=O)c2ccco2)C1
InChIInChI=1S/C16H21ClN4O4S/c1-11-14(15(17)20(2)19-11)26(23,24)21-7-3-5-12(10-21)9-18-16(22)13-6-4-8-25-13/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,18,22)
InChIKeyDCDYKBDQMILAOB-UHFFFAOYSA-N
XLogP1.81
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 42355799
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131910940
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55913799
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 50847857
(3R,4R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(hydroxymethyl)piperidin-3-ol
CID 56900685
4-(2-benzylpyrrolidin-1-yl)sulfonyl-5-chloro-1,3-dimethylpyrazole
CID 166186757
N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 126470838
N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 124726563
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 95563509

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide (CID 45244496) is N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC(CNC(=O)c2ccco2)C1.
What is the InChIKey of N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is DCDYKBDQMILAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O4S/c1-11-14(15(17)20(2)19-11)26(23,24)21-7-3-5-12(10-21)9-18-16(22)13-6-4-8-25-13/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 45244496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).