1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene

C15H15FN2O6S2 — CID 154880193

IUPAC1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)F)cc2)cc1
InChIInChI=1S/C15H15FN2O6S2/c1-11(19)17-12-3-9-15(10-4-12)25(20,21)18(2)13-5-7-14(8-6-13)24-26(16,22)23/h3-10H,1-2H3,(H,17,19)
InChIKeyHMJODWLWWIGRDA-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.06
Rot. Bonds6

About 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene

1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene (PubChem CID 154880193) has the molecular formula C15H15FN2O6S2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene.

Molecular Properties

Compound Name1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene
PubChem CID154880193
Molecular FormulaC15H15FN2O6S2
Molecular Weight402.43 g/mol
Exact Mass402.04
IUPAC Name1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)F)cc2)cc1
InChIInChI=1S/C15H15FN2O6S2/c1-11(19)17-12-3-9-15(10-4-12)25(20,21)18(2)13-5-7-14(8-6-13)24-26(16,22)23/h3-10H,1-2H3,(H,17,19)
InChIKeyHMJODWLWWIGRDA-UHFFFAOYSA-N
XLogP2.06
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
CID 100501598
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 23877777
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)benzamide
CID 1289268
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene?
The IUPAC name of 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene (CID 154880193) is 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene.
What is the SMILES notation for 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene?
The canonical SMILES for 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene is CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)F)cc2)cc1.
What is the InChIKey of 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene?
The InChIKey is HMJODWLWWIGRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O6S2/c1-11(19)17-12-3-9-15(10-4-12)25(20,21)18(2)13-5-7-14(8-6-13)24-26(16,22)23/h3-10H,1-2H3,(H,17,19).
What are the key properties of 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene?
1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene has a molecular weight of 402.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene is sourced from PubChem (CID 154880193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).