N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide

C22H49N3O4S2 — CID 150918389

IUPACN,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCCCCCCCCCCCCCNS(N)(=O)=O
InChIInChI=1S/C22H49N3O4S2/c1-3-20-25(21-4-2)30(26,27)22-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-31(23,28)29/h24H,3-22H2,1-2H3,(H2,23,28,29)
InChIKeyLDMKZZFMCBERAD-UHFFFAOYSA-N
MW483.79 g/mol
LogP4.69
Rot. Bonds23

About N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide

N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide (PubChem CID 150918389) has the molecular formula C22H49N3O4S2 and a molecular weight of 483.79 g/mol. Its IUPAC name is N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide
PubChem CID150918389
Molecular FormulaC22H49N3O4S2
Molecular Weight483.79 g/mol
Exact Mass483.32
IUPAC NameN,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCCCCCCCCCCCCCNS(N)(=O)=O
InChIInChI=1S/C22H49N3O4S2/c1-3-20-25(21-4-2)30(26,27)22-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-31(23,28)29/h24H,3-22H2,1-2H3,(H2,23,28,29)
InChIKeyLDMKZZFMCBERAD-UHFFFAOYSA-N
XLogP4.69
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.79
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide?
The IUPAC name of N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide (CID 150918389) is N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide.
What is the SMILES notation for N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide?
The canonical SMILES for N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide is CCCN(CCC)S(=O)(=O)CCCCCCCCCCCCCCCCNS(N)(=O)=O.
What is the InChIKey of N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide?
The InChIKey is LDMKZZFMCBERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N3O4S2/c1-3-20-25(21-4-2)30(26,27)22-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-31(23,28)29/h24H,3-22H2,1-2H3,(H2,23,28,29).
What are the key properties of N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide?
N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide has a molecular weight of 483.79 g/mol, XLogP of 4.69, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide is sourced from PubChem (CID 150918389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).