5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

C18H21FN2O4S — CID 31120180

IUPAC5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H21FN2O4S/c1-12(2)21(3)26(23,24)15-8-6-14(7-9-15)20-18(22)16-11-13(19)5-10-17(16)25-4/h5-12H,1-4H3,(H,20,22)
InChIKeyRTJDNKRORYJJRK-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.12
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 31120180) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID31120180
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H21FN2O4S/c1-12(2)21(3)26(23,24)15-8-6-14(7-9-15)20-18(22)16-11-13(19)5-10-17(16)25-4/h5-12H,1-4H3,(H,20,22)
InChIKeyRTJDNKRORYJJRK-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 9219948
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
CID 31118008
5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide
CID 157454354
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
5-methoxy-4-(2-methoxyethoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 55466784
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (CID 31120180) is 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is COc1ccc(F)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is RTJDNKRORYJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-12(2)21(3)26(23,24)15-8-6-14(7-9-15)20-18(22)16-11-13(19)5-10-17(16)25-4/h5-12H,1-4H3,(H,20,22).
What are the key properties of 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 31120180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).