N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C14H15FN2O3S2 — CID 118732071

IUPACN-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2ccc(F)c(S(=O)(=O)NC3CCCC3)c2)cs1
InChIInChI=1S/C14H15FN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
InChIKeyQHJIFVODZVWWOJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.46
Rot. Bonds4

About N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118732071) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118732071
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC NameN-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2ccc(F)c(S(=O)(=O)NC3CCCC3)c2)cs1
InChIInChI=1S/C14H15FN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
InChIKeyQHJIFVODZVWWOJ-UHFFFAOYSA-N
XLogP2.46
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 118732071) is N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is O=c1[nH]c(-c2ccc(F)c(S(=O)(=O)NC3CCCC3)c2)cs1.
What is the InChIKey of N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is QHJIFVODZVWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18).
What are the key properties of N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118732071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).