3-dodecylthiophene-2-sulfonamide

C16H29NO2S2 — CID 154311081

IUPAC3-dodecylthiophene-2-sulfonamide
SMILESCCCCCCCCCCCCc1ccsc1S(N)(=O)=O
InChIInChI=1S/C16H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-20-16(15)21(17,18)19/h13-14H,2-12H2,1H3,(H2,17,18,19)
InChIKeyZFZPXHQBQKVTKM-UHFFFAOYSA-N
MW331.55 g/mol
LogP4.86
Rot. Bonds12

About 3-dodecylthiophene-2-sulfonamide

3-dodecylthiophene-2-sulfonamide (PubChem CID 154311081) has the molecular formula C16H29NO2S2 and a molecular weight of 331.55 g/mol. Its IUPAC name is 3-dodecylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-dodecylthiophene-2-sulfonamide
PubChem CID154311081
Molecular FormulaC16H29NO2S2
Molecular Weight331.55 g/mol
Exact Mass331.16
IUPAC Name3-dodecylthiophene-2-sulfonamide
SMILESCCCCCCCCCCCCc1ccsc1S(N)(=O)=O
InChIInChI=1S/C16H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-20-16(15)21(17,18)19/h13-14H,2-12H2,1H3,(H2,17,18,19)
InChIKeyZFZPXHQBQKVTKM-UHFFFAOYSA-N
XLogP4.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 54.86
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

(3-nonylthiophen-2-yl)phosphane
CID 21095664
3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
2,3-didodecylthiophene
CID 66897470
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
2-bromo-3-icosylthiophene
CID 141267982
2-bromo-3-dodecylthiophene
CID 10426816
2-ethenyl-3-tetradecylthiophene
CID 150440528
2-nonylbenzenesulfonamide
CID 70447042
3-dodecyl-2-[(E)-2-(3-dodecylthiophen-2-yl)ethenyl]thiophene;3-dodecylthiophene-2-carbaldehyde
CID 161286013
2-nitroso-3-pentylthiophene
CID 175606444
3-(methylsulfanylmethyl)thiophene-2-sulfonamide
CID 14051927
(3-hexylthiophen-2-yl)-trimethylsilane
CID 11447834

Frequently Asked Questions

What is the IUPAC name of 3-dodecylthiophene-2-sulfonamide?
The IUPAC name of 3-dodecylthiophene-2-sulfonamide (CID 154311081) is 3-dodecylthiophene-2-sulfonamide.
What is the SMILES notation for 3-dodecylthiophene-2-sulfonamide?
The canonical SMILES for 3-dodecylthiophene-2-sulfonamide is CCCCCCCCCCCCc1ccsc1S(N)(=O)=O.
What is the InChIKey of 3-dodecylthiophene-2-sulfonamide?
The InChIKey is ZFZPXHQBQKVTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-20-16(15)21(17,18)19/h13-14H,2-12H2,1H3,(H2,17,18,19).
What are the key properties of 3-dodecylthiophene-2-sulfonamide?
3-dodecylthiophene-2-sulfonamide has a molecular weight of 331.55 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylthiophene-2-sulfonamide is sourced from PubChem (CID 154311081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).