2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide

C13H12ClFN2O2S2 — CID 75508924

IUPAC2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(c1nccs1)C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O2S2/c14-9-2-1-3-10(15)12(9)21(18,19)17-11(8-4-5-8)13-16-6-7-20-13/h1-3,6-8,11,17H,4-5H2
InChIKeyFXTBQYVOGXQPMQ-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.37
Rot. Bonds5

About 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide

2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide (PubChem CID 75508924) has the molecular formula C13H12ClFN2O2S2 and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide
PubChem CID75508924
Molecular FormulaC13H12ClFN2O2S2
Molecular Weight346.84 g/mol
Exact Mass346.00
IUPAC Name2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(c1nccs1)C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O2S2/c14-9-2-1-3-10(15)12(9)21(18,19)17-11(8-4-5-8)13-16-6-7-20-13/h1-3,6-8,11,17H,4-5H2
InChIKeyFXTBQYVOGXQPMQ-UHFFFAOYSA-N
XLogP3.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide (CID 75508924) is 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide is O=S(=O)(NC(c1nccs1)C1CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide?
The InChIKey is FXTBQYVOGXQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S2/c14-9-2-1-3-10(15)12(9)21(18,19)17-11(8-4-5-8)13-16-6-7-20-13/h1-3,6-8,11,17H,4-5H2.
What are the key properties of 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide?
2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide is sourced from PubChem (CID 75508924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).