3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide

C18H21FN2O4S — CID 26579178

IUPAC3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H21FN2O4S/c1-18(2,3)21-26(23,24)16-10-12(8-9-15(16)25-4)17(22)20-14-7-5-6-13(19)11-14/h5-11,21H,1-4H3,(H,20,22)
InChIKeyWNZDLCQHKYAGIM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.16
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide (PubChem CID 26579178) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
PubChem CID26579178
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H21FN2O4S/c1-18(2,3)21-26(23,24)16-10-12(8-9-15(16)25-4)17(22)20-14-7-5-6-13(19)11-14/h5-11,21H,1-4H3,(H,20,22)
InChIKeyWNZDLCQHKYAGIM-UHFFFAOYSA-N
XLogP3.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
CID 55981707
3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
CID 56516978
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide (CID 26579178) is 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide?
The InChIKey is WNZDLCQHKYAGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-18(2,3)21-26(23,24)16-10-12(8-9-15(16)25-4)17(22)20-14-7-5-6-13(19)11-14/h5-11,21H,1-4H3,(H,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide has a molecular weight of 380.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 26579178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).