hexadecane-1-sulfonamide

C16H35NO2S — CID 19890540

IUPAChexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C16H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H2,17,18,19)
InChIKeyCRPAPNNHNVVYKL-UHFFFAOYSA-N
MW305.53 g/mol
LogP4.76
Rot. Bonds15

About hexadecane-1-sulfonamide

hexadecane-1-sulfonamide (PubChem CID 19890540) has the molecular formula C16H35NO2S and a molecular weight of 305.53 g/mol. Its IUPAC name is hexadecane-1-sulfonamide.

Molecular Properties

Compound Namehexadecane-1-sulfonamide
PubChem CID19890540
Molecular FormulaC16H35NO2S
Molecular Weight305.53 g/mol
Exact Mass305.24
IUPAC Namehexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C16H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H2,17,18,19)
InChIKeyCRPAPNNHNVVYKL-UHFFFAOYSA-N
XLogP4.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of hexadecane-1-sulfonamide?
The IUPAC name of hexadecane-1-sulfonamide (CID 19890540) is hexadecane-1-sulfonamide.
What is the SMILES notation for hexadecane-1-sulfonamide?
The canonical SMILES for hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(N)(=O)=O.
What is the InChIKey of hexadecane-1-sulfonamide?
The InChIKey is CRPAPNNHNVVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H2,17,18,19).
What are the key properties of hexadecane-1-sulfonamide?
hexadecane-1-sulfonamide has a molecular weight of 305.53 g/mol, XLogP of 4.76, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane-1-sulfonamide is sourced from PubChem (CID 19890540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).