N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide

C14H10ClN5O3S — CID 52935838

IUPACN-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2cccc(Cl)n2)c1)c1ccccn1
InChIInChI=1S/C14H10ClN5O3S/c15-12-5-3-6-13(19-12)24(22,23)20-9-10(8-17-20)18-14(21)11-4-1-2-7-16-11/h1-9H,(H,18,21)
InChIKeyWJYNLICEDQOKOV-UHFFFAOYSA-N
MW363.79 g/mol
LogP1.82
Rot. Bonds4

About N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52935838) has the molecular formula C14H10ClN5O3S and a molecular weight of 363.79 g/mol. Its IUPAC name is N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52935838
Molecular FormulaC14H10ClN5O3S
Molecular Weight363.79 g/mol
Exact Mass363.02
IUPAC NameN-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2cccc(Cl)n2)c1)c1ccccn1
InChIInChI=1S/C14H10ClN5O3S/c15-12-5-3-6-13(19-12)24(22,23)20-9-10(8-17-20)18-14(21)11-4-1-2-7-16-11/h1-9H,(H,18,21)
InChIKeyWJYNLICEDQOKOV-UHFFFAOYSA-N
XLogP1.82
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 52935838) is N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(S(=O)(=O)c2cccc(Cl)n2)c1)c1ccccn1.
What is the InChIKey of N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WJYNLICEDQOKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O3S/c15-12-5-3-6-13(19-12)24(22,23)20-9-10(8-17-20)18-14(21)11-4-1-2-7-16-11/h1-9H,(H,18,21).
What are the key properties of N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 363.79 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52935838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).