N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H28ClN3O3S — CID 26693455

IUPACN-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H28ClN3O3S/c24-21-7-3-4-8-22(21)26-13-15-27(16-14-26)23(28)11-12-25-31(29,30)20-10-9-18-5-1-2-6-19(18)17-20/h3-4,7-10,17,25H,1-2,5-6,11-16H2
InChIKeyCJEFZQRTMMJERS-UHFFFAOYSA-N
MW462.02 g/mol
LogP3.24
Rot. Bonds6

About N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 26693455) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID26693455
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC NameN-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H28ClN3O3S/c24-21-7-3-4-8-22(21)26-13-15-27(16-14-26)23(28)11-12-25-31(29,30)20-10-9-18-5-1-2-6-19(18)17-20/h3-4,7-10,17,25H,1-2,5-6,11-16H2
InChIKeyCJEFZQRTMMJERS-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 24538550
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119563156
N-benzyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxamide
CID 31588092
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119520090
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119412609
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86845648
3-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 110371066
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119638499
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
N-[3-oxo-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 91642903
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120815224
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 39302101

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 26693455) is N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is CJEFZQRTMMJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3S/c24-21-7-3-4-8-22(21)26-13-15-27(16-14-26)23(28)11-12-25-31(29,30)20-10-9-18-5-1-2-6-19(18)17-20/h3-4,7-10,17,25H,1-2,5-6,11-16H2.
What are the key properties of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 462.02 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 26693455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).