3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

C24H25FN4O3S — CID 55858730

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H25FN4O3S/c25-19-7-9-21(10-8-19)28-33(31,32)23-6-3-4-18(16-23)24(30)27-20-11-14-29(15-12-20)17-22-5-1-2-13-26-22/h1-10,13,16,20,28H,11-12,14-15,17H2,(H,27,30)
InChIKeyZXBBPHUUQIHYNM-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.42
Rot. Bonds7

About 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 55858730) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID55858730
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H25FN4O3S/c25-19-7-9-21(10-8-19)28-33(31,32)23-6-3-4-18(16-23)24(30)27-20-11-14-29(15-12-20)17-22-5-1-2-13-26-22/h1-10,13,16,20,28H,11-12,14-15,17H2,(H,27,30)
InChIKeyZXBBPHUUQIHYNM-UHFFFAOYSA-N
XLogP3.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858222
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
N-cyclopentyl-3-(2-pyridin-2-ylethylsulfamoyl)benzamide
CID 72859318
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 55859239
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960567
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
1-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55858352
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491
3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387130

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (CID 55858730) is 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is ZXBBPHUUQIHYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c25-19-7-9-21(10-8-19)28-33(31,32)23-6-3-4-18(16-23)24(30)27-20-11-14-29(15-12-20)17-22-5-1-2-13-26-22/h1-10,13,16,20,28H,11-12,14-15,17H2,(H,27,30).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 468.55 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 55858730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).