1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea

C23H24FN3O3S — CID 45270135

IUPAC1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea
SMILESO=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24FN3O3S/c24-20-9-8-18-14-17(6-7-19(18)15-20)16-27-12-10-21(11-13-27)25-23(28)26-31(29,30)22-4-2-1-3-5-22/h1-9,14-15,21H,10-13,16H2,(H2,25,26,28)
InChIKeySFPGIRFFPMPQLC-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.63
Rot. Bonds5

About 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea

1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea (PubChem CID 45270135) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea
PubChem CID45270135
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea
SMILESO=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24FN3O3S/c24-20-9-8-18-14-17(6-7-19(18)15-20)16-27-12-10-21(11-13-27)25-23(28)26-31(29,30)22-4-2-1-3-5-22/h1-9,14-15,21H,10-13,16H2,(H2,25,26,28)
InChIKeySFPGIRFFPMPQLC-UHFFFAOYSA-N
XLogP3.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea (CID 45270135) is 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea is O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea?
The InChIKey is SFPGIRFFPMPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c24-20-9-8-18-14-17(6-7-19(18)15-20)16-27-12-10-21(11-13-27)25-23(28)26-31(29,30)22-4-2-1-3-5-22/h1-9,14-15,21H,10-13,16H2,(H2,25,26,28).
What are the key properties of 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea?
1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea has a molecular weight of 441.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 45270135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).