5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride

C23H22Cl2N4O2S — CID 44533514

IUPAC5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C23H21ClN4O2S.ClH/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28;/h1-9,14-15,25,27H,10-13H2;1H
InChIKeyTWMZMWINJXGEKZ-UHFFFAOYSA-N
MW489.43 g/mol
LogP4.67
Rot. Bonds4

About 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride

5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride (PubChem CID 44533514) has the molecular formula C23H22Cl2N4O2S and a molecular weight of 489.43 g/mol. Its IUPAC name is 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride
PubChem CID44533514
Molecular FormulaC23H22Cl2N4O2S
Molecular Weight489.43 g/mol
Exact Mass488.08
IUPAC Name5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C23H21ClN4O2S.ClH/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28;/h1-9,14-15,25,27H,10-13H2;1H
InChIKeyTWMZMWINJXGEKZ-UHFFFAOYSA-N
XLogP4.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-diazepan-1-yl)-6-(4-propan-2-ylphenyl)sulfonylquinoline;hydrochloride
CID 10321324
N-(1-chloroisoquinolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 22674072
6-(3,5-dimethylphenyl)sulfonyl-4-piperazin-1-ylquinoline
CID 10002066
N-(4-chloro-3-isoquinolin-1-ylphenyl)-6-piperazin-1-ylpyridine-3-sulfonamide
CID 70933734
tert-butyl 4-[5-[(5-chloronaphthalen-2-yl)sulfonylamino]-2-methoxyphenyl]piperazine-1-carboxylate
CID 151991692
N-naphthalen-2-yl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10226081
6-(4-tert-butyl-2-methylphenyl)sulfonyl-4-piperazin-1-ylquinoline
CID 10049871
4-(1,4-diazepan-1-yl)-6-fluoroquinoline
CID 53399075
N-(4-nitro-3-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 22272495
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 56963264
4-(1,4-diazepan-1-yl)quinoline
CID 61339543
sodium 4-piperazin-1-ylquinolin-7-olate
CID 141086656

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride (CID 44533514) is 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride?
The InChIKey is TWMZMWINJXGEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2S.ClH/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28;/h1-9,14-15,25,27H,10-13H2;1H.
What are the key properties of 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride?
5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride has a molecular weight of 489.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-piperazin-1-ylquinolin-6-yl)naphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 44533514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).