4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide

C24H26ClN3O2S — CID 91365275

IUPAC4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CCc2cccc(N3CCNCC3)c2C1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C24H26ClN3O2S/c25-22-10-11-24(20-6-2-1-5-19(20)22)31(29,30)27-18-9-8-17-4-3-7-23(21(17)16-18)28-14-12-26-13-15-28/h1-7,10-11,18,26-27H,8-9,12-16H2
InChIKeyRPXUZWBRDHKHRG-UHFFFAOYSA-N
MW456.01 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide

4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide (PubChem CID 91365275) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide
PubChem CID91365275
Molecular FormulaC24H26ClN3O2S
Molecular Weight456.01 g/mol
Exact Mass455.14
IUPAC Name4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CCc2cccc(N3CCNCC3)c2C1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C24H26ClN3O2S/c25-22-10-11-24(20-6-2-1-5-19(20)22)31(29,30)27-18-9-8-17-4-3-7-23(21(17)16-18)28-14-12-26-13-15-28/h1-7,10-11,18,26-27H,8-9,12-16H2
InChIKeyRPXUZWBRDHKHRG-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.01
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
CID 43454625
2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 67552359
4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride
CID 119994715
N-[(E)-(2-chloro-6-piperazin-1-ylphenyl)methylideneamino]naphthalene-1-sulfonamide
CID 25170163
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315
1-(2-chlorophenyl)piperazine
CID 162116490
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46204995
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
2-(3-chloro-2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
CID 142592122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide (CID 91365275) is 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide is O=S(=O)(NC1CCc2cccc(N3CCNCC3)c2C1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide?
The InChIKey is RPXUZWBRDHKHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2S/c25-22-10-11-24(20-6-2-1-5-19(20)22)31(29,30)27-18-9-8-17-4-3-7-23(21(17)16-18)28-14-12-26-13-15-28/h1-7,10-11,18,26-27H,8-9,12-16H2.
What are the key properties of 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide?
4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide has a molecular weight of 456.01 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 91365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).