N-benzylpentadecane-1-sulfonamide

C22H39NO2S — CID 14025944

IUPACN-benzylpentadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C22H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(24,25)23-21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3
InChIKeyHNVPAICMTBZPGO-UHFFFAOYSA-N
MW381.63 g/mol
LogP6.20
Rot. Bonds17

About N-benzylpentadecane-1-sulfonamide

N-benzylpentadecane-1-sulfonamide (PubChem CID 14025944) has the molecular formula C22H39NO2S and a molecular weight of 381.63 g/mol. Its IUPAC name is N-benzylpentadecane-1-sulfonamide.

Molecular Properties

Compound NameN-benzylpentadecane-1-sulfonamide
PubChem CID14025944
Molecular FormulaC22H39NO2S
Molecular Weight381.63 g/mol
Exact Mass381.27
IUPAC NameN-benzylpentadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C22H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(24,25)23-21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3
InChIKeyHNVPAICMTBZPGO-UHFFFAOYSA-N
XLogP6.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.63
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide
CID 70166510
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
1-[2-(benzylsulfamoyl)ethyl]-2-hexylguanidine;hydroiodide
CID 111062384
N-(benzylsulfamoyl)butan-1-amine
CID 15569640
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine
CID 111062363
N-octyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479968
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine;hydroiodide
CID 111062362
N-[(4-ethylphenyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088943
N-benzyl-1-bromomethanesulfonamide
CID 75373678
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116

Frequently Asked Questions

What is the IUPAC name of N-benzylpentadecane-1-sulfonamide?
The IUPAC name of N-benzylpentadecane-1-sulfonamide (CID 14025944) is N-benzylpentadecane-1-sulfonamide.
What is the SMILES notation for N-benzylpentadecane-1-sulfonamide?
The canonical SMILES for N-benzylpentadecane-1-sulfonamide is CCCCCCCCCCCCCCCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzylpentadecane-1-sulfonamide?
The InChIKey is HNVPAICMTBZPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(24,25)23-21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3.
What are the key properties of N-benzylpentadecane-1-sulfonamide?
N-benzylpentadecane-1-sulfonamide has a molecular weight of 381.63 g/mol, XLogP of 6.20, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpentadecane-1-sulfonamide is sourced from PubChem (CID 14025944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).