4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide

C27H26N4O3S — CID 59634843

IUPAC4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H26N4O3S/c32-27(31-18-16-30(17-19-31)20-21-6-2-1-3-7-21)23-11-13-24(14-12-23)35(33,34)29-25-10-4-8-22-9-5-15-28-26(22)25/h1-15,29H,16-20H2
InChIKeyMPXUJYAGVIWYPQ-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.99
Rot. Bonds6

About 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide

4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 59634843) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
PubChem CID59634843
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H26N4O3S/c32-27(31-18-16-30(17-19-31)20-21-6-2-1-3-7-21)23-11-13-24(14-12-23)35(33,34)29-25-10-4-8-22-9-5-15-28-26(22)25/h1-15,29H,16-20H2
InChIKeyMPXUJYAGVIWYPQ-UHFFFAOYSA-N
XLogP3.99
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 59634919
N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)-2-fluorophenyl]quinoline-8-sulfonamide
CID 67504796
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599
N-[2-fluoro-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505097
N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 67505065
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 59634800
N-[2-methoxy-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634765
N-[4-[4-[[4-(dimethylamino)phenyl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635159
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67504938
N-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634872
3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 109063891
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide (CID 59634843) is 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is MPXUJYAGVIWYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c32-27(31-18-16-30(17-19-31)20-21-6-2-1-3-7-21)23-11-13-24(14-12-23)35(33,34)29-25-10-4-8-22-9-5-15-28-26(22)25/h1-15,29H,16-20H2.
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 486.60 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 59634843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).