N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide

C27H35N3O3S — CID 46934427

IUPACN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H35N3O3S/c1-33-27-13-7-6-12-26(27)30-20-18-29(19-21-30)17-9-3-2-8-16-28-34(31,32)25-15-14-23-10-4-5-11-24(23)22-25/h4-7,10-15,22,28H,2-3,8-9,16-21H2,1H3
InChIKeyWEXLHWFGOZCTNY-UHFFFAOYSA-N
MW481.66 g/mol
LogP4.51
Rot. Bonds11

About N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide

N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide (PubChem CID 46934427) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide
PubChem CID46934427
Molecular FormulaC27H35N3O3S
Molecular Weight481.66 g/mol
Exact Mass481.24
IUPAC NameN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H35N3O3S/c1-33-27-13-7-6-12-26(27)30-20-18-29(19-21-30)17-9-3-2-8-16-28-34(31,32)25-15-14-23-10-4-5-11-24(23)22-25/h4-7,10-15,22,28H,2-3,8-9,16-21H2,1H3
InChIKeyWEXLHWFGOZCTNY-UHFFFAOYSA-N
XLogP4.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide (CID 46934427) is N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide is COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide?
The InChIKey is WEXLHWFGOZCTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3S/c1-33-27-13-7-6-12-26(27)30-20-18-29(19-21-30)17-9-3-2-8-16-28-34(31,32)25-15-14-23-10-4-5-11-24(23)22-25/h4-7,10-15,22,28H,2-3,8-9,16-21H2,1H3.
What are the key properties of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide?
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide has a molecular weight of 481.66 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 46934427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).