5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide

C18H18ClFN2O3S — CID 119045142

IUPAC5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H18ClFN2O3S/c19-12-5-10-17(20)16(11-12)18(23)21-13-6-8-15(9-7-13)26(24,25)22-14-3-1-2-4-14/h5-11,14,22H,1-4H2,(H,21,23)
InChIKeyQBMOKYNKDPJXKX-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.95
Rot. Bonds5

About 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide

5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide (PubChem CID 119045142) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
PubChem CID119045142
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H18ClFN2O3S/c19-12-5-10-17(20)16(11-12)18(23)21-13-6-8-15(9-7-13)26(24,25)22-14-3-1-2-4-14/h5-11,14,22H,1-4H2,(H,21,23)
InChIKeyQBMOKYNKDPJXKX-UHFFFAOYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide (CID 119045142) is 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is QBMOKYNKDPJXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c19-12-5-10-17(20)16(11-12)18(23)21-13-6-8-15(9-7-13)26(24,25)22-14-3-1-2-4-14/h5-11,14,22H,1-4H2,(H,21,23).
What are the key properties of 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide?
5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 396.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 119045142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).