N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide

C22H28FN3O5S — CID 67428801

IUPACN-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NC(C1(c2ccccc2F)CCNCC1)S(=O)(=O)N(C)C
InChIInChI=1S/C22H28FN3O5S/c1-26(2)32(29,30)21(25-20(28)19-17(27)9-6-10-18(19)31-3)22(11-13-24-14-12-22)15-7-4-5-8-16(15)23/h4-10,21,24,27H,11-14H2,1-3H3,(H,25,28)
InChIKeyOCWGKLPAUZYGSZ-UHFFFAOYSA-N
MW465.55 g/mol
LogP1.81
Rot. Bonds7

About N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide

N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide (PubChem CID 67428801) has the molecular formula C22H28FN3O5S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound NameN-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
PubChem CID67428801
Molecular FormulaC22H28FN3O5S
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC NameN-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NC(C1(c2ccccc2F)CCNCC1)S(=O)(=O)N(C)C
InChIInChI=1S/C22H28FN3O5S/c1-26(2)32(29,30)21(25-20(28)19-17(27)9-6-10-18(19)31-3)22(11-13-24-14-12-22)15-7-4-5-8-16(15)23/h4-10,21,24,27H,11-14H2,1-3H3,(H,25,28)
InChIKeyOCWGKLPAUZYGSZ-UHFFFAOYSA-N
XLogP1.81
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 67420672
2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67420131
N-[[4-(3-fluorophenyl)piperidin-4-yl]-(3-hydroxypyrrolidin-1-yl)sulfonylmethyl]-2-hydroxy-6-methoxybenzamide
CID 67427902
N-[[4-(cyclohexen-1-yl)piperidin-4-yl]-(dimethylsulfamoyl)methyl]-2-(trifluoromethoxy)benzamide
CID 22240616
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide
CID 67420983
N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 67420764
N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide
CID 90795331
2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154918040
4-(2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 82290945
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406

Frequently Asked Questions

What is the IUPAC name of N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The IUPAC name of N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide (CID 67428801) is N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide is COc1cccc(O)c1C(=O)NC(C1(c2ccccc2F)CCNCC1)S(=O)(=O)N(C)C.
What is the InChIKey of N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The InChIKey is OCWGKLPAUZYGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O5S/c1-26(2)32(29,30)21(25-20(28)19-17(27)9-6-10-18(19)31-3)22(11-13-24-14-12-22)15-7-4-5-8-16(15)23/h4-10,21,24,27H,11-14H2,1-3H3,(H,25,28).
What are the key properties of N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide has a molecular weight of 465.55 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 67428801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).