N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide

C20H24FN3O5S — CID 146256038

IUPACN-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1C(=O)Nc1ccc(F)c(C)n1
InChIInChI=1S/C20H24FN3O5S/c1-12-15(21)8-10-19(22-12)23-20(26)14-11-13(7-9-18(14)29-2)30(27,28)24-16-5-3-4-6-17(16)25/h7-11,16-17,24-25H,3-6H2,1-2H3,(H,22,23,26)/t16-,17-/m0/s1
InChIKeyNEQHAALVJLJKMB-IRXDYDNUSA-N
MW437.49 g/mol
LogP2.37
Rot. Bonds6

About N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide

N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 146256038) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide
PubChem CID146256038
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC NameN-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1C(=O)Nc1ccc(F)c(C)n1
InChIInChI=1S/C20H24FN3O5S/c1-12-15(21)8-10-19(22-12)23-20(26)14-11-13(7-9-18(14)29-2)30(27,28)24-16-5-3-4-6-17(16)25/h7-11,16-17,24-25H,3-6H2,1-2H3,(H,22,23,26)/t16-,17-/m0/s1
InChIKeyNEQHAALVJLJKMB-IRXDYDNUSA-N
XLogP2.37
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylsulfamoyl)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxybenzamide
CID 142410527
N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide
CID 158573906
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 62359246
N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
CID 146237263
2-fluoro-N-(2-methoxyphenyl)-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 15995932
N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237320
N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
CID 146237146
N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146237169
N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146255968
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 98054835
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide (CID 146256038) is N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1C(=O)Nc1ccc(F)c(C)n1.
What is the InChIKey of N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is NEQHAALVJLJKMB-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-12-15(21)8-10-19(22-12)23-20(26)14-11-13(7-9-18(14)29-2)30(27,28)24-16-5-3-4-6-17(16)25/h7-11,16-17,24-25H,3-6H2,1-2H3,(H,22,23,26)/t16-,17-/m0/s1.
What are the key properties of N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide?
N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 437.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146256038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).