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

C19H15ClN4O2S — CID 22201715

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc2cccnc12
InChIInChI=1S/C19H15ClN4O2S/c20-16-8-6-14(7-9-16)13-24-12-10-18(22-24)23-27(25,26)17-5-1-3-15-4-2-11-21-19(15)17/h1-12H,13H2,(H,22,23)
InChIKeyCWTYKUVRYXNTJP-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.93
Rot. Bonds5

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide (PubChem CID 22201715) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide
PubChem CID22201715
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc2cccnc12
InChIInChI=1S/C19H15ClN4O2S/c20-16-8-6-14(7-9-16)13-24-12-10-18(22-24)23-27(25,26)17-5-1-3-15-4-2-11-21-19(15)17/h1-12H,13H2,(H,22,23)
InChIKeyCWTYKUVRYXNTJP-UHFFFAOYSA-N
XLogP3.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
CID 22201794
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201711
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
N-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 123344778
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide
CID 22203069
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
4-nitro-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 48928565
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 4775946

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide (CID 22201715) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide is O=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc2cccnc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide?
The InChIKey is CWTYKUVRYXNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-16-8-6-14(7-9-16)13-24-12-10-18(22-24)23-27(25,26)17-5-1-3-15-4-2-11-21-19(15)17/h1-12H,13H2,(H,22,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide has a molecular weight of 398.88 g/mol, XLogP of 3.93, 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]pyrazol-3-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 22201715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).