N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride

C27H42ClN3O2S — CID 22364892

IUPACN-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride
SMILESCCCCCCCCCCS(=O)(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C27H41N3O2S.ClH/c1-2-3-4-5-6-7-8-15-24-33(31,32)28-30-22-20-29(21-23-30)27(25-16-11-9-12-17-25)26-18-13-10-14-19-26;/h9-14,16-19,27-28H,2-8,15,20-24H2,1H3;1H
InChIKeyATUNIYHIRNNSMS-UHFFFAOYSA-N
MW508.17 g/mol
LogP5.79
Rot. Bonds14

About N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride

N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride (PubChem CID 22364892) has the molecular formula C27H42ClN3O2S and a molecular weight of 508.17 g/mol. Its IUPAC name is N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride
PubChem CID22364892
Molecular FormulaC27H42ClN3O2S
Molecular Weight508.17 g/mol
Exact Mass507.27
IUPAC NameN-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride
SMILESCCCCCCCCCCS(=O)(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C27H41N3O2S.ClH/c1-2-3-4-5-6-7-8-15-24-33(31,32)28-30-22-20-29(21-23-30)27(25-16-11-9-12-17-25)26-18-13-10-14-19-26;/h9-14,16-19,27-28H,2-8,15,20-24H2,1H3;1H
InChIKeyATUNIYHIRNNSMS-UHFFFAOYSA-N
XLogP5.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.17
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 12006583
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CID 19700573
1-benzhydryl-4-octylpiperidine;hydrobromide
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1-benzhydryl-4-(4-butoxyphenyl)sulfonylpiperazine
CID 46100935
1-(4-benzhydrylpiperazin-1-yl)-4-methoxydecan-1-one
CID 132993174
1-benzhydryl-4-ethylpiperazine;ethane
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N-benzylpentadecane-1-sulfonamide
CID 14025944
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
1-benzhydryl-4-methylpiperazine
CID 6726
3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-heptyl-5-phenylimidazolidine-2,4-dione
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4-(4-benzhydrylpiperazin-1-yl)-N-(2-ethylhexyl)-4-oxobutanamide
CID 25246851

Frequently Asked Questions

What is the IUPAC name of N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride (CID 22364892) is N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride is CCCCCCCCCCS(=O)(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride?
The InChIKey is ATUNIYHIRNNSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O2S.ClH/c1-2-3-4-5-6-7-8-15-24-33(31,32)28-30-22-20-29(21-23-30)27(25-16-11-9-12-17-25)26-18-13-10-14-19-26;/h9-14,16-19,27-28H,2-8,15,20-24H2,1H3;1H.
What are the key properties of N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride?
N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride has a molecular weight of 508.17 g/mol, XLogP of 5.79, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 22364892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).