N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

C22H24N4O4S — CID 55706599

IUPACN-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c1-30-24-31(28,29)20-9-7-18(8-10-20)22(27)26-14-12-25(13-15-26)16-19-5-2-4-17-6-3-11-23-21(17)19/h2-11,24H,12-16H2,1H3
InChIKeyNDJFVIAYGJJOCD-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.03
Rot. Bonds6

About N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55706599) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55706599
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c1-30-24-31(28,29)20-9-7-18(8-10-20)22(27)26-14-12-25(13-15-26)16-19-5-2-4-17-6-3-11-23-21(17)19/h2-11,24H,12-16H2,1H3
InChIKeyNDJFVIAYGJJOCD-UHFFFAOYSA-N
XLogP2.03
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 59634843
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419
N-[4-[4-[(2-propoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634956
(2-ethoxy-3-pyridinyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622980
N-[4-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635075
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755
N-[4-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634929
N-[4-[4-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67504817

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 55706599) is N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is CONS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NDJFVIAYGJJOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-30-24-31(28,29)20-9-7-18(8-10-20)22(27)26-14-12-25(13-15-26)16-19-5-2-4-17-6-3-11-23-21(17)19/h2-11,24H,12-16H2,1H3.
What are the key properties of N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 440.53 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55706599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).