N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide

C16H14Cl2N4O3S — CID 108781451

IUPACN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N4O3S/c1-10-7-15(22(20-10)16-14(18)8-11(17)9-19-16)21-26(23,24)13-5-3-12(25-2)4-6-13/h3-9,21H,1-2H3
InChIKeyQUBIBXCJIMXBNY-UHFFFAOYSA-N
MW413.29 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 108781451) has the molecular formula C16H14Cl2N4O3S and a molecular weight of 413.29 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide
PubChem CID108781451
Molecular FormulaC16H14Cl2N4O3S
Molecular Weight413.29 g/mol
Exact Mass412.02
IUPAC NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N4O3S/c1-10-7-15(22(20-10)16-14(18)8-11(17)9-19-16)21-26(23,24)13-5-3-12(25-2)4-6-13/h3-9,21H,1-2H3
InChIKeyQUBIBXCJIMXBNY-UHFFFAOYSA-N
XLogP3.69
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 108781459
2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 108756054
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
CID 58158937
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-(3-chloropyrazin-2-yl)-4-methoxybenzenesulfonamide
CID 102989975
N-[2-(4-aminoisoquinolin-1-yl)-5-methylpyrazol-3-yl]-4-tert-butylbenzenesulfonamide
CID 121263878
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
(E)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756175
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxybenzenesulfonamide
CID 122310436

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide (CID 108781451) is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is QUBIBXCJIMXBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3S/c1-10-7-15(22(20-10)16-14(18)8-11(17)9-19-16)21-26(23,24)13-5-3-12(25-2)4-6-13/h3-9,21H,1-2H3.
What are the key properties of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide?
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 413.29 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 108781451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).