N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide

C17H17FN2O3S — CID 2354529

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C17H17FN2O3S/c18-13-8-10-14(11-9-13)24(22,23)20-16-7-2-1-6-15(16)19-17(21)12-4-3-5-12/h1-2,6-12,20H,3-5H2,(H,19,21)
InChIKeyVDMZKUWQHLMSCM-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.37
Rot. Bonds5

About N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide (PubChem CID 2354529) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide
PubChem CID2354529
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C17H17FN2O3S/c18-13-8-10-14(11-9-13)24(22,23)20-16-7-2-1-6-15(16)19-17(21)12-4-3-5-12/h1-2,6-12,20H,3-5H2,(H,19,21)
InChIKeyVDMZKUWQHLMSCM-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide (CID 2354529) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide is O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCC1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide?
The InChIKey is VDMZKUWQHLMSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-13-8-10-14(11-9-13)24(22,23)20-16-7-2-1-6-15(16)19-17(21)12-4-3-5-12/h1-2,6-12,20H,3-5H2,(H,19,21).
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 2354529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).