1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea

C16H15ClFN3O3S — CID 134040540

IUPAC1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1)NC1CC1
InChIInChI=1S/C16H15ClFN3O3S/c17-14-9-10(18)1-8-15(14)25(23,24)21-13-6-4-12(5-7-13)20-16(22)19-11-2-3-11/h1,4-9,11,21H,2-3H2,(H2,19,20,22)
InChIKeyXBYUJKPFNOOIBJ-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.56
Rot. Bonds5

About 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea

1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea (PubChem CID 134040540) has the molecular formula C16H15ClFN3O3S and a molecular weight of 383.83 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea
PubChem CID134040540
Molecular FormulaC16H15ClFN3O3S
Molecular Weight383.83 g/mol
Exact Mass383.05
IUPAC Name1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1)NC1CC1
InChIInChI=1S/C16H15ClFN3O3S/c17-14-9-10(18)1-8-15(14)25(23,24)21-13-6-4-12(5-7-13)20-16(22)19-11-2-3-11/h1,4-9,11,21H,2-3H2,(H2,19,20,22)
InChIKeyXBYUJKPFNOOIBJ-UHFFFAOYSA-N
XLogP3.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea (CID 134040540) is 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1)NC1CC1.
What is the InChIKey of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea?
The InChIKey is XBYUJKPFNOOIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3S/c17-14-9-10(18)1-8-15(14)25(23,24)21-13-6-4-12(5-7-13)20-16(22)19-11-2-3-11/h1,4-9,11,21H,2-3H2,(H2,19,20,22).
What are the key properties of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea?
1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea has a molecular weight of 383.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 134040540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).