N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide

C24H28ClN3O2S — CID 50915001

IUPACN-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
SMILESC[C@H](CN1CCN(Cc2cccc(Cl)c2)CC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H28ClN3O2S/c1-19(26-31(29,30)24-10-9-21-6-2-3-7-22(21)16-24)17-27-11-13-28(14-12-27)18-20-5-4-8-23(25)15-20/h2-10,15-16,19,26H,11-14,17-18H2,1H3/t19-/m1/s1
InChIKeyDAKFUTTYAZDSJA-LJQANCHMSA-N
MW458.03 g/mol
LogP3.98
Rot. Bonds7

About N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide

N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide (PubChem CID 50915001) has the molecular formula C24H28ClN3O2S and a molecular weight of 458.03 g/mol. Its IUPAC name is N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
PubChem CID50915001
Molecular FormulaC24H28ClN3O2S
Molecular Weight458.03 g/mol
Exact Mass457.16
IUPAC NameN-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
SMILESC[C@H](CN1CCN(Cc2cccc(Cl)c2)CC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H28ClN3O2S/c1-19(26-31(29,30)24-10-9-21-6-2-3-7-22(21)16-24)17-27-11-13-28(14-12-27)18-20-5-4-8-23(25)15-20/h2-10,15-16,19,26H,11-14,17-18H2,1H3/t19-/m1/s1
InChIKeyDAKFUTTYAZDSJA-LJQANCHMSA-N
XLogP3.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.03
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide (CID 50915001) is N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide is C[C@H](CN1CCN(Cc2cccc(Cl)c2)CC1)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is DAKFUTTYAZDSJA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28ClN3O2S/c1-19(26-31(29,30)24-10-9-21-6-2-3-7-22(21)16-24)17-27-11-13-28(14-12-27)18-20-5-4-8-23(25)15-20/h2-10,15-16,19,26H,11-14,17-18H2,1H3/t19-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide?
N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 458.03 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 50915001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).