N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide

C18H18ClFN2O5S — CID 146237146

IUPACN-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O5S/c1-27-17-5-3-13(28(25,26)22-11-7-12(23)8-11)9-14(17)18(24)21-16-4-2-10(19)6-15(16)20/h2-6,9,11-12,22-23H,7-8H2,1H3,(H,21,24)
InChIKeyLVJDWHPERQLWBJ-UHFFFAOYSA-N
MW428.87 g/mol
LogP2.54
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide

N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide (PubChem CID 146237146) has the molecular formula C18H18ClFN2O5S and a molecular weight of 428.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
PubChem CID146237146
Molecular FormulaC18H18ClFN2O5S
Molecular Weight428.87 g/mol
Exact Mass428.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O5S/c1-27-17-5-3-13(28(25,26)22-11-7-12(23)8-11)9-14(17)18(24)21-16-4-2-10(19)6-15(16)20/h2-6,9,11-12,22-23H,7-8H2,1H3,(H,21,24)
InChIKeyLVJDWHPERQLWBJ-UHFFFAOYSA-N
XLogP2.54
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
CID 146237263
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
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
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide
CID 146256038
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide (CID 146237146) is N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
The InChIKey is LVJDWHPERQLWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O5S/c1-27-17-5-3-13(28(25,26)22-11-7-12(23)8-11)9-14(17)18(24)21-16-4-2-10(19)6-15(16)20/h2-6,9,11-12,22-23H,7-8H2,1H3,(H,21,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide has a molecular weight of 428.87 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146237146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).