N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C16H11ClFN3O3S2 — CID 53495171

IUPACN-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1
InChIInChI=1S/C16H11ClFN3O3S2/c17-11-5-4-10(12(18)7-11)9-26(23,24)14-8-20-16(25-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)
InChIKeyNNTPVJXBORPEGC-UHFFFAOYSA-N
MW411.87 g/mol
LogP3.56
Rot. Bonds5

About N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 53495171) has the molecular formula C16H11ClFN3O3S2 and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID53495171
Molecular FormulaC16H11ClFN3O3S2
Molecular Weight411.87 g/mol
Exact Mass410.99
IUPAC NameN-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1
InChIInChI=1S/C16H11ClFN3O3S2/c17-11-5-4-10(12(18)7-11)9-26(23,24)14-8-20-16(25-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)
InChIKeyNNTPVJXBORPEGC-UHFFFAOYSA-N
XLogP3.56
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 53495171) is N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1.
What is the InChIKey of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is NNTPVJXBORPEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3S2/c17-11-5-4-10(12(18)7-11)9-26(23,24)14-8-20-16(25-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22).
What are the key properties of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).