N-dodecylthiophene-2-sulfonamide

C16H29NO2S2 — CID 19681497

IUPACN-dodecylthiophene-2-sulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21(18,19)16-13-12-15-20-16/h12-13,15,17H,2-11,14H2,1H3
InChIKeyHYKSVMOXMSXQNI-UHFFFAOYSA-N
MW331.55 g/mol
LogP4.95
Rot. Bonds13

About N-dodecylthiophene-2-sulfonamide

N-dodecylthiophene-2-sulfonamide (PubChem CID 19681497) has the molecular formula C16H29NO2S2 and a molecular weight of 331.55 g/mol. Its IUPAC name is N-dodecylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-dodecylthiophene-2-sulfonamide
PubChem CID19681497
Molecular FormulaC16H29NO2S2
Molecular Weight331.55 g/mol
Exact Mass331.16
IUPAC NameN-dodecylthiophene-2-sulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21(18,19)16-13-12-15-20-16/h12-13,15,17H,2-11,14H2,1H3
InChIKeyHYKSVMOXMSXQNI-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentylthiophene-2-sulfonamide
CID 5150701
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584

Frequently Asked Questions

What is the IUPAC name of N-dodecylthiophene-2-sulfonamide?
The IUPAC name of N-dodecylthiophene-2-sulfonamide (CID 19681497) is N-dodecylthiophene-2-sulfonamide.
What is the SMILES notation for N-dodecylthiophene-2-sulfonamide?
The canonical SMILES for N-dodecylthiophene-2-sulfonamide is CCCCCCCCCCCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-dodecylthiophene-2-sulfonamide?
The InChIKey is HYKSVMOXMSXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21(18,19)16-13-12-15-20-16/h12-13,15,17H,2-11,14H2,1H3.
What are the key properties of N-dodecylthiophene-2-sulfonamide?
N-dodecylthiophene-2-sulfonamide has a molecular weight of 331.55 g/mol, XLogP of 4.95, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylthiophene-2-sulfonamide is sourced from PubChem (CID 19681497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).