N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H26ClN5O3S — CID 55577216

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(c3ncccn3)C2)ccc1Cl
InChIInChI=1S/C20H26ClN5O3S/c1-3-26(4-2)30(28,29)18-13-16(8-9-17(18)21)24-19(27)15-7-5-12-25(14-15)20-22-10-6-11-23-20/h6,8-11,13,15H,3-5,7,12,14H2,1-2H3,(H,24,27)
InChIKeyKGEAIRWPHWLCGI-UHFFFAOYSA-N
MW451.98 g/mol
LogP3.02
Rot. Bonds7

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55577216) has the molecular formula C20H26ClN5O3S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55577216
Molecular FormulaC20H26ClN5O3S
Molecular Weight451.98 g/mol
Exact Mass451.14
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(c3ncccn3)C2)ccc1Cl
InChIInChI=1S/C20H26ClN5O3S/c1-3-26(4-2)30(28,29)18-13-16(8-9-17(18)21)24-19(27)15-7-5-12-25(14-15)20-22-10-6-11-23-20/h6,8-11,13,15H,3-5,7,12,14H2,1-2H3,(H,24,27)
InChIKeyKGEAIRWPHWLCGI-UHFFFAOYSA-N
XLogP3.02
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 134036511
N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 51154870
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
N-(3-acetamido-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47023979
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
2-chloro-N,N-diethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4683687
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55577216) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(c3ncccn3)C2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is KGEAIRWPHWLCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O3S/c1-3-26(4-2)30(28,29)18-13-16(8-9-17(18)21)24-19(27)15-7-5-12-25(14-15)20-22-10-6-11-23-20/h6,8-11,13,15H,3-5,7,12,14H2,1-2H3,(H,24,27).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 451.98 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55577216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).