1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene

C13H19FN2O6S — CID 154872347

IUPAC1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
SMILESCOCCN(CCOC)C(=O)Nc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C13H19FN2O6S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22-23(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyAMPZKNNLMNSYBU-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.41
Rot. Bonds9

About 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene

1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene (PubChem CID 154872347) has the molecular formula C13H19FN2O6S and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
PubChem CID154872347
Molecular FormulaC13H19FN2O6S
Molecular Weight350.37 g/mol
Exact Mass350.09
IUPAC Name1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
SMILESCOCCN(CCOC)C(=O)Nc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C13H19FN2O6S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22-23(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyAMPZKNNLMNSYBU-UHFFFAOYSA-N
XLogP1.41
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene
CID 154872315
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene
CID 167902787
[3-[[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4592003
4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
CID 45156351
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene?
The IUPAC name of 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene (CID 154872347) is 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene?
The canonical SMILES for 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene is COCCN(CCOC)C(=O)Nc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene?
The InChIKey is AMPZKNNLMNSYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O6S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22-23(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene?
1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene has a molecular weight of 350.37 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene is sourced from PubChem (CID 154872347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).