N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide

C20H17ClN4O2S — CID 22201794

IUPACN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccnc23)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O2S/c1-14-12-19(23-25(14)13-15-7-9-17(21)10-8-15)24-28(26,27)18-6-2-4-16-5-3-11-22-20(16)18/h2-12H,13H2,1H3,(H,23,24)
InChIKeyICIJRBXULYQQBD-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.24
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide (PubChem CID 22201794) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
PubChem CID22201794
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccnc23)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O2S/c1-14-12-19(23-25(14)13-15-7-9-17(21)10-8-15)24-28(26,27)18-6-2-4-16-5-3-11-22-20(16)18/h2-12H,13H2,1H3,(H,23,24)
InChIKeyICIJRBXULYQQBD-UHFFFAOYSA-N
XLogP4.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide
CID 22201715
2,4,5-trichloro-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 22201809
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide
CID 22203069
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22201773
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22201790
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-8-sulfonamide
CID 22206350
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 95628798
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 123344778

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide (CID 22201794) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide is Cc1cc(NS(=O)(=O)c2cccc3cccnc23)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide?
The InChIKey is ICIJRBXULYQQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-14-12-19(23-25(14)13-15-7-9-17(21)10-8-15)24-28(26,27)18-6-2-4-16-5-3-11-22-20(16)18/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide?
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide has a molecular weight of 412.90 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 22201794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).