1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea

C19H22FN3O3S — CID 56928663

IUPAC1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-16-6-4-5-15(13-16)14-21-19(24)22-17-7-9-18(10-8-17)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,22,24)
InChIKeyUGERNPMSSMEKOE-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.32
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea

1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 56928663) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
PubChem CID56928663
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-16-6-4-5-15(13-16)14-21-19(24)22-17-7-9-18(10-8-17)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,22,24)
InChIKeyUGERNPMSSMEKOE-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Slc-0111
CID 310360
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
4-{[(3,5-Dimethylphenyl)carbamoyl]amino}benzene-1-Sulfonamide
CID 27868075
3-[4-(3,5-Difluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10273848
1-(3-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894570
1-(4-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894571
1-(3-Propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
CID 27871218

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea (CID 56928663) is 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea is O=C(NCc1cccc(F)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is UGERNPMSSMEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-16-6-4-5-15(13-16)14-21-19(24)22-17-7-9-18(10-8-17)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,22,24).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea has a molecular weight of 391.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 56928663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).