N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C21H31ClN4O4S — CID 55752758

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C21H31ClN4O4S/c1-3-26(4-2)31(29,30)17-7-8-18(22)19(15-17)23-20(27)16-9-13-25(14-10-16)21(28)24-11-5-6-12-24/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,23,27)
InChIKeyYSPQUESWODOCJE-UHFFFAOYSA-N
MW471.02 g/mol
LogP3.24
Rot. Bonds6

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55752758) has the molecular formula C21H31ClN4O4S and a molecular weight of 471.02 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55752758
Molecular FormulaC21H31ClN4O4S
Molecular Weight471.02 g/mol
Exact Mass470.18
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C21H31ClN4O4S/c1-3-26(4-2)31(29,30)17-7-8-18(22)19(15-17)23-20(27)16-9-13-25(14-10-16)21(28)24-11-5-6-12-24/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,23,27)
InChIKeyYSPQUESWODOCJE-UHFFFAOYSA-N
XLogP3.24
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.02
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
CID 166435529
1-acetyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 9460845
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108792177
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 112840558
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519934

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55752758) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is YSPQUESWODOCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4O4S/c1-3-26(4-2)31(29,30)17-7-8-18(22)19(15-17)23-20(27)16-9-13-25(14-10-16)21(28)24-11-5-6-12-24/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 471.02 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55752758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).