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

C16H12ClN3O3S2 — CID 54670965

IUPACN-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1
InChIInChI=1S/C16H12ClN3O3S2/c17-12-6-2-1-5-11(12)10-25(22,23)14-9-19-16(24-14)20-15(21)13-7-3-4-8-18-13/h1-9H,10H2,(H,19,20,21)
InChIKeyOOYAAXVFYWLSCE-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.42
Rot. Bonds5

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

N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 54670965) has the molecular formula C16H12ClN3O3S2 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID54670965
Molecular FormulaC16H12ClN3O3S2
Molecular Weight393.88 g/mol
Exact Mass393.00
IUPAC NameN-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1
InChIInChI=1S/C16H12ClN3O3S2/c17-12-6-2-1-5-11(12)10-25(22,23)14-9-19-16(24-14)20-15(21)13-7-3-4-8-18-13/h1-9H,10H2,(H,19,20,21)
InChIKeyOOYAAXVFYWLSCE-UHFFFAOYSA-N
XLogP3.42
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 54670965) is N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1ncc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is OOYAAXVFYWLSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S2/c17-12-6-2-1-5-11(12)10-25(22,23)14-9-19-16(24-14)20-15(21)13-7-3-4-8-18-13/h1-9H,10H2,(H,19,20,21).
What are the key properties of N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 393.88 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54670965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).