N,N'-dihexadecylmethanedisulfonamide

C33H70N2O4S2 — CID 140586841

IUPACN,N'-dihexadecylmethanedisulfonamide
SMILESCCCCCCCCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C33H70N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40(36,37)33-41(38,39)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3
InChIKeyVDOXDHCXRROSCM-UHFFFAOYSA-N
MW623.07 g/mol
LogP9.75
Rot. Bonds34

About N,N'-dihexadecylmethanedisulfonamide

N,N'-dihexadecylmethanedisulfonamide (PubChem CID 140586841) has the molecular formula C33H70N2O4S2 and a molecular weight of 623.07 g/mol. Its IUPAC name is N,N'-dihexadecylmethanedisulfonamide.

Molecular Properties

Compound NameN,N'-dihexadecylmethanedisulfonamide
PubChem CID140586841
Molecular FormulaC33H70N2O4S2
Molecular Weight623.07 g/mol
Exact Mass622.48
IUPAC NameN,N'-dihexadecylmethanedisulfonamide
SMILESCCCCCCCCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C33H70N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40(36,37)33-41(38,39)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3
InChIKeyVDOXDHCXRROSCM-UHFFFAOYSA-N
XLogP9.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.07
LogP ≤ 59.75
H-Bond Donors ≤ 52
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 88827291
N-decylbutane-1-sulfonamide
CID 19681427
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805
sodium N-octadecylsulfamate
CID 87410765
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
11-(octylsulfonylamino)undecanoic acid
CID 4605614

Frequently Asked Questions

What is the IUPAC name of N,N'-dihexadecylmethanedisulfonamide?
The IUPAC name of N,N'-dihexadecylmethanedisulfonamide (CID 140586841) is N,N'-dihexadecylmethanedisulfonamide.
What is the SMILES notation for N,N'-dihexadecylmethanedisulfonamide?
The canonical SMILES for N,N'-dihexadecylmethanedisulfonamide is CCCCCCCCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCCCCCCCC.
What is the InChIKey of N,N'-dihexadecylmethanedisulfonamide?
The InChIKey is VDOXDHCXRROSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H70N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40(36,37)33-41(38,39)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3.
What are the key properties of N,N'-dihexadecylmethanedisulfonamide?
N,N'-dihexadecylmethanedisulfonamide has a molecular weight of 623.07 g/mol, XLogP of 9.75, 34 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihexadecylmethanedisulfonamide is sourced from PubChem (CID 140586841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).