N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide

C16H17FN2O4S — CID 7750677

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-19(2)24(21,22)13-8-9-15(23-3)14(10-13)18-16(20)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H,18,20)
InChIKeyPDHDSAKUYBGHDA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.34
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide (PubChem CID 7750677) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
PubChem CID7750677
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-19(2)24(21,22)13-8-9-15(23-3)14(10-13)18-16(20)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H,18,20)
InChIKeyPDHDSAKUYBGHDA-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7921725
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 40695566
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
methyl 3-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 18209003
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4792679

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide (CID 7750677) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide?
The InChIKey is PDHDSAKUYBGHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-19(2)24(21,22)13-8-9-15(23-3)14(10-13)18-16(20)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide has a molecular weight of 352.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide is sourced from PubChem (CID 7750677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).