N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide

C17H19N5O3S — CID 75392092

IUPACN-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
SMILESCOCCn1cc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)cn1
InChIInChI=1S/C17H19N5O3S/c1-25-11-10-22-13-15(12-19-22)26(23,24)21-16-8-5-9-18-17(16)20-14-6-3-2-4-7-14/h2-9,12-13,21H,10-11H2,1H3,(H,18,20)
InChIKeyCPXLXGMMCJPLCZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.47
Rot. Bonds8

About N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide

N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide (PubChem CID 75392092) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
PubChem CID75392092
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
SMILESCOCCn1cc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)cn1
InChIInChI=1S/C17H19N5O3S/c1-25-11-10-22-13-15(12-19-22)26(23,24)21-16-8-5-9-18-17(16)20-14-6-3-2-4-7-14/h2-9,12-13,21H,10-11H2,1H3,(H,18,20)
InChIKeyCPXLXGMMCJPLCZ-UHFFFAOYSA-N
XLogP2.47
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide (CID 75392092) is N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide is COCCn1cc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)cn1.
What is the InChIKey of N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
The InChIKey is CPXLXGMMCJPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-25-11-10-22-13-15(12-19-22)26(23,24)21-16-8-5-9-18-17(16)20-14-6-3-2-4-7-14/h2-9,12-13,21H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75392092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).