1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea

C10H14FN3O3S — CID 116645823

IUPAC1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H14FN3O3S/c1-2-6-13-10(15)14-18(16,17)8-5-3-4-7(11)9(8)12/h3-5H,2,6,12H2,1H3,(H2,13,14,15)
InChIKeyBHVNHJIPIQBMJY-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.81
Rot. Bonds4

About 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea

1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea (PubChem CID 116645823) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
PubChem CID116645823
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H14FN3O3S/c1-2-6-13-10(15)14-18(16,17)8-5-3-4-7(11)9(8)12/h3-5H,2,6,12H2,1H3,(H2,13,14,15)
InChIKeyBHVNHJIPIQBMJY-UHFFFAOYSA-N
XLogP0.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea
CID 116645815
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
1-butyl-3-naphthalen-1-ylsulfonylurea
CID 125482961
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113489
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
CID 116645848
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea?
The IUPAC name of 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea (CID 116645823) is 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea?
The InChIKey is BHVNHJIPIQBMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-2-6-13-10(15)14-18(16,17)8-5-3-4-7(11)9(8)12/h3-5H,2,6,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea?
1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea has a molecular weight of 275.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea is sourced from PubChem (CID 116645823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).