5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide

C22H21FN2O5S2 — CID 27364829

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2ccc(SC)cc2)c1OC
InChIInChI=1S/C22H21FN2O5S2/c1-29-20-13-16(32(27,28)25-19-7-5-4-6-18(19)23)12-17(21(20)30-2)22(26)24-14-8-10-15(31-3)11-9-14/h4-13,25H,1-3H3,(H,24,26)
InChIKeyUABLULAGQRFJKH-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.62
Rot. Bonds8

About 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide

5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 27364829) has the molecular formula C22H21FN2O5S2 and a molecular weight of 476.55 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
PubChem CID27364829
Molecular FormulaC22H21FN2O5S2
Molecular Weight476.55 g/mol
Exact Mass476.09
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2ccc(SC)cc2)c1OC
InChIInChI=1S/C22H21FN2O5S2/c1-29-20-13-16(32(27,28)25-19-7-5-4-6-18(19)23)12-17(21(20)30-2)22(26)24-14-8-10-15(31-3)11-9-14/h4-13,25H,1-3H3,(H,24,26)
InChIKeyUABLULAGQRFJKH-UHFFFAOYSA-N
XLogP4.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 30502190
3-(dimethylaminocarbamoyl)-N-(2-fluorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 9163771
N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
CID 9295134
N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
CID 41104484
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 41080971
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384330
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384329
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
CID 56808928
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide (CID 27364829) is 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide is COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2ccc(SC)cc2)c1OC.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is UABLULAGQRFJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S2/c1-29-20-13-16(32(27,28)25-19-7-5-4-6-18(19)23)12-17(21(20)30-2)22(26)24-14-8-10-15(31-3)11-9-14/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide?
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 476.55 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 27364829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).