1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea

C21H26ClFN4O3S — CID 112820138

IUPAC1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C21H26ClFN4O3S/c1-26(15-18-19(22)11-7-12-20(18)23)31(29,30)27-13-6-5-10-17(27)14-24-21(28)25-16-8-3-2-4-9-16/h2-4,7-9,11-12,17H,5-6,10,13-15H2,1H3,(H2,24,25,28)
InChIKeyGFVYHPJGGFVKJC-UHFFFAOYSA-N
MW468.98 g/mol
LogP3.83
Rot. Bonds7

About 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea

1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea (PubChem CID 112820138) has the molecular formula C21H26ClFN4O3S and a molecular weight of 468.98 g/mol. Its IUPAC name is 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea
PubChem CID112820138
Molecular FormulaC21H26ClFN4O3S
Molecular Weight468.98 g/mol
Exact Mass468.14
IUPAC Name1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C21H26ClFN4O3S/c1-26(15-18-19(22)11-7-12-20(18)23)31(29,30)27-13-6-5-10-17(27)14-24-21(28)25-16-8-3-2-4-9-16/h2-4,7-9,11-12,17H,5-6,10,13-15H2,1H3,(H2,24,25,28)
InChIKeyGFVYHPJGGFVKJC-UHFFFAOYSA-N
XLogP3.83
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.98
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea with MolForge

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Related Compounds

tert-butyl N-[[(2R)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]carbamate
CID 97174310
N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide
CID 112811416
N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626041
1-(3-chlorophenyl)-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286181
1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
CID 7280148
2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31692312
1-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-phenylurea
CID 7280428
1-(4-methylphenyl)-3-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286214
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(2-phenoxyethyl)piperazine-1-sulfonamide
CID 112811392
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134040898
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 78860482

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea (CID 112820138) is 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea is CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCCC1CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea?
The InChIKey is GFVYHPJGGFVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN4O3S/c1-26(15-18-19(22)11-7-12-20(18)23)31(29,30)27-13-6-5-10-17(27)14-24-21(28)25-16-8-3-2-4-9-16/h2-4,7-9,11-12,17H,5-6,10,13-15H2,1H3,(H2,24,25,28).
What are the key properties of 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea?
1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea has a molecular weight of 468.98 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]piperidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 112820138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).