6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide

C20H23ClN6O2S — CID 3299121

IUPAC6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2c(C)nn(-c3ccccc3)c2Cl)nc1
InChIInChI=1S/C20H23ClN6O2S/c1-4-26(5-2)30(28,29)17-11-12-19(22-13-17)24-23-14-18-15(3)25-27(20(18)21)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,24)
InChIKeyMPOIIZHOUIKNJU-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.71
Rot. Bonds8

About 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide

6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 3299121) has the molecular formula C20H23ClN6O2S and a molecular weight of 446.96 g/mol. Its IUPAC name is 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID3299121
Molecular FormulaC20H23ClN6O2S
Molecular Weight446.96 g/mol
Exact Mass446.13
IUPAC Name6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2c(C)nn(-c3ccccc3)c2Cl)nc1
InChIInChI=1S/C20H23ClN6O2S/c1-4-26(5-2)30(28,29)17-11-12-19(22-13-17)24-23-14-18-15(3)25-27(20(18)21)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,24)
InChIKeyMPOIIZHOUIKNJU-UHFFFAOYSA-N
XLogP3.71
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 2094492
6-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 4849551
6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 42996124
N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 16556218
6-(2-cinnamylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 73423868
N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide
CID 18205744
N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4539634
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
CID 7301273
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 5026433

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide (CID 3299121) is 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NN=Cc2c(C)nn(-c3ccccc3)c2Cl)nc1.
What is the InChIKey of 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is MPOIIZHOUIKNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2S/c1-4-26(5-2)30(28,29)17-11-12-19(22-13-17)24-23-14-18-15(3)25-27(20(18)21)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 446.96 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 3299121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).