1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea

C11H14F3N3O5S2 — CID 166400127

IUPAC1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O5S2/c1-2-5-16-10(18)17-8-4-3-7(24(15,21)22)6-9(8)23(19,20)11(12,13)14/h3-4,6H,2,5H2,1H3,(H2,15,21,22)(H2,16,17,18)
InChIKeyFSXAALPNFGEFKX-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.16
Rot. Bonds5

About 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea

1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea (PubChem CID 166400127) has the molecular formula C11H14F3N3O5S2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea.

Molecular Properties

Compound Name1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea
PubChem CID166400127
Molecular FormulaC11H14F3N3O5S2
Molecular Weight389.38 g/mol
Exact Mass389.03
IUPAC Name1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O5S2/c1-2-5-16-10(18)17-8-4-3-7(24(15,21)22)6-9(8)23(19,20)11(12,13)14/h3-4,6H,2,5H2,1H3,(H2,15,21,22)(H2,16,17,18)
InChIKeyFSXAALPNFGEFKX-UHFFFAOYSA-N
XLogP1.16
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea?
The IUPAC name of 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea (CID 166400127) is 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea.
What is the SMILES notation for 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea?
The canonical SMILES for 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea is CCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea?
The InChIKey is FSXAALPNFGEFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O5S2/c1-2-5-16-10(18)17-8-4-3-7(24(15,21)22)6-9(8)23(19,20)11(12,13)14/h3-4,6H,2,5H2,1H3,(H2,15,21,22)(H2,16,17,18).
What are the key properties of 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea?
1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea has a molecular weight of 389.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea is sourced from PubChem (CID 166400127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).