N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide

C19H22F2N2O4S — CID 118677106

IUPACN-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(C)C)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O4S/c1-11(2)12(3)23-28(25,26)14-6-8-18(27-4)15(10-14)19(24)22-13-5-7-16(20)17(21)9-13/h5-12,23H,1-4H3,(H,22,24)
InChIKeyCHFHYSOCSCYANN-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.55
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide

N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide (PubChem CID 118677106) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
PubChem CID118677106
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(C)C)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O4S/c1-11(2)12(3)23-28(25,26)14-6-8-18(27-4)15(10-14)19(24)22-13-5-7-16(20)17(21)9-13/h5-12,23H,1-4H3,(H,22,24)
InChIKeyCHFHYSOCSCYANN-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974
N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146237169
N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide
CID 46949187
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24666791

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide (CID 118677106) is N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide is COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide?
The InChIKey is CHFHYSOCSCYANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-11(2)12(3)23-28(25,26)14-6-8-18(27-4)15(10-14)19(24)22-13-5-7-16(20)17(21)9-13/h5-12,23H,1-4H3,(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide?
N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide has a molecular weight of 412.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 118677106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).