N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide

C23H30FN3O6S — CID 23600971

IUPACN-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCC1(c2cccc(F)c2)CCN(S(=O)(=O)N(C)CCO)CC1
InChIInChI=1S/C23H30FN3O6S/c1-26(13-14-28)34(31,32)27-11-9-23(10-12-27,17-5-3-6-18(24)15-17)16-25-22(30)21-19(29)7-4-8-20(21)33-2/h3-8,15,28-29H,9-14,16H2,1-2H3,(H,25,30)
InChIKeySWHVKEXTRZIVFP-UHFFFAOYSA-N
MW495.57 g/mol
LogP1.47
Rot. Bonds9

About N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide

N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide (PubChem CID 23600971) has the molecular formula C23H30FN3O6S and a molecular weight of 495.57 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
PubChem CID23600971
Molecular FormulaC23H30FN3O6S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC NameN-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCC1(c2cccc(F)c2)CCN(S(=O)(=O)N(C)CCO)CC1
InChIInChI=1S/C23H30FN3O6S/c1-26(13-14-28)34(31,32)27-11-9-23(10-12-27,17-5-3-6-18(24)15-17)16-25-22(30)21-19(29)7-4-8-20(21)33-2/h3-8,15,28-29H,9-14,16H2,1-2H3,(H,25,30)
InChIKeySWHVKEXTRZIVFP-UHFFFAOYSA-N
XLogP1.47
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide (CID 23600971) is N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide is COc1cccc(O)c1C(=O)NCC1(c2cccc(F)c2)CCN(S(=O)(=O)N(C)CCO)CC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The InChIKey is SWHVKEXTRZIVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O6S/c1-26(13-14-28)34(31,32)27-11-9-23(10-12-27,17-5-3-6-18(24)15-17)16-25-22(30)21-19(29)7-4-8-20(21)33-2/h3-8,15,28-29H,9-14,16H2,1-2H3,(H,25,30).
What are the key properties of N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide has a molecular weight of 495.57 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 23600971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).