N-(2-methylpropyl)hexadecane-1-sulfonamide

C20H43NO2S — CID 22976871

IUPACN-(2-methylpropyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NCC(C)C
InChIInChI=1S/C20H43NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(22,23)21-19-20(2)3/h20-21H,4-19H2,1-3H3
InChIKeyAFCJQAGPCHYXCV-UHFFFAOYSA-N
MW361.64 g/mol
LogP6.04
Rot. Bonds18

About N-(2-methylpropyl)hexadecane-1-sulfonamide

N-(2-methylpropyl)hexadecane-1-sulfonamide (PubChem CID 22976871) has the molecular formula C20H43NO2S and a molecular weight of 361.64 g/mol. Its IUPAC name is N-(2-methylpropyl)hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)hexadecane-1-sulfonamide
PubChem CID22976871
Molecular FormulaC20H43NO2S
Molecular Weight361.64 g/mol
Exact Mass361.30
IUPAC NameN-(2-methylpropyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NCC(C)C
InChIInChI=1S/C20H43NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(22,23)21-19-20(2)3/h20-21H,4-19H2,1-3H3
InChIKeyAFCJQAGPCHYXCV-UHFFFAOYSA-N
XLogP6.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.64
LogP ≤ 56.04
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-(2-ethylhexyl)dodecane-1-sulfonamide
CID 20789895
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
N-[2-(diethylamino)propyl]butane-1-sulfonamide
CID 112502209
N-decylbutane-1-sulfonamide
CID 19681427
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
2-(nonylsulfonylamino)acetic acid
CID 4052547
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
N-octadecylpropane-1-sulfonamide
CID 88827291
undecane-1-sulfonohydrazide
CID 174980858
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)hexadecane-1-sulfonamide?
The IUPAC name of N-(2-methylpropyl)hexadecane-1-sulfonamide (CID 22976871) is N-(2-methylpropyl)hexadecane-1-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)hexadecane-1-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)hexadecane-1-sulfonamide?
The InChIKey is AFCJQAGPCHYXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(22,23)21-19-20(2)3/h20-21H,4-19H2,1-3H3.
What are the key properties of N-(2-methylpropyl)hexadecane-1-sulfonamide?
N-(2-methylpropyl)hexadecane-1-sulfonamide has a molecular weight of 361.64 g/mol, XLogP of 6.04, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)hexadecane-1-sulfonamide is sourced from PubChem (CID 22976871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).