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N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide

C17H14ClFN4O2S2 — CID 141321198

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(-c2nc(C3CC3)sc2-c2ccncn2)c1Cl
InChIInChI=1S/C17H14ClFN4O2S2/c1-27(24,25)23-13-7-10(19)6-11(14(13)18)15-16(12-4-5-20-8-21-12)26-17(22-15)9-2-3-9/h4-9,23H,2-3H2,1H3
InChIKeyCXWNCVUTTZLDPY-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.31
Rot. Bonds5

About N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide

N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide (PubChem CID 141321198) has the molecular formula C17H14ClFN4O2S2 and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide
PubChem CID141321198
Molecular FormulaC17H14ClFN4O2S2
Molecular Weight424.91 g/mol
Exact Mass424.02
IUPAC NameN-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(-c2nc(C3CC3)sc2-c2ccncn2)c1Cl
InChIInChI=1S/C17H14ClFN4O2S2/c1-27(24,25)23-13-7-10(19)6-11(14(13)18)15-16(12-4-5-20-8-21-12)26-17(22-15)9-2-3-9/h4-9,23H,2-3H2,1H3
InChIKeyCXWNCVUTTZLDPY-UHFFFAOYSA-N
XLogP4.31
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide (CID 141321198) is N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(F)cc(-c2nc(C3CC3)sc2-c2ccncn2)c1Cl.
What is the InChIKey of N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide?
The InChIKey is CXWNCVUTTZLDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2S2/c1-27(24,25)23-13-7-10(19)6-11(14(13)18)15-16(12-4-5-20-8-21-12)26-17(22-15)9-2-3-9/h4-9,23H,2-3H2,1H3.
What are the key properties of N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide?
N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 141321198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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