N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide

C19H20F2N2O5S — CID 146237263

IUPACN-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(F)c(C)c1F
InChIInChI=1S/C19H20F2N2O5S/c1-10-15(20)4-5-16(18(10)21)22-19(25)14-9-13(3-6-17(14)28-2)29(26,27)23-11-7-12(24)8-11/h3-6,9,11-12,23-24H,7-8H2,1-2H3,(H,22,25)
InChIKeySPNAXBUPZAIQCW-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.34
Rot. Bonds6

About N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide

N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide (PubChem CID 146237263) has the molecular formula C19H20F2N2O5S and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
PubChem CID146237263
Molecular FormulaC19H20F2N2O5S
Molecular Weight426.44 g/mol
Exact Mass426.11
IUPAC NameN-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(F)c(C)c1F
InChIInChI=1S/C19H20F2N2O5S/c1-10-15(20)4-5-16(18(10)21)22-19(25)14-9-13(3-6-17(14)28-2)29(26,27)23-11-7-12(24)8-11/h3-6,9,11-12,23-24H,7-8H2,1-2H3,(H,22,25)
InChIKeySPNAXBUPZAIQCW-UHFFFAOYSA-N
XLogP2.34
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
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
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316
N-(5-fluoro-6-methyl-2-pyridinyl)-5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-2-methoxybenzamide
CID 146256038
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
2-fluoro-5-[(3-hydroxycyclobutyl)sulfamoyl]-3-methylbenzoic acid
CID 81434533
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
The IUPAC name of N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide (CID 146237263) is N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC2CC(O)C2)cc1C(=O)Nc1ccc(F)c(C)c1F.
What is the InChIKey of N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
The InChIKey is SPNAXBUPZAIQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O5S/c1-10-15(20)4-5-16(18(10)21)22-19(25)14-9-13(3-6-17(14)28-2)29(26,27)23-11-7-12(24)8-11/h3-6,9,11-12,23-24H,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide?
N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide has a molecular weight of 426.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146237263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).