5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide

C14H25ClN2O2S2 — CID 4996654

IUPAC5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCCN(CCCC)CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H25ClN2O2S2/c1-3-5-10-17(11-6-4-2)12-9-16-21(18,19)14-8-7-13(15)20-14/h7-8,16H,3-6,9-12H2,1-2H3
InChIKeyBHEUYZFRXIFPAV-UHFFFAOYSA-N
MW352.95 g/mol
LogP3.58
Rot. Bonds11

About 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 4996654) has the molecular formula C14H25ClN2O2S2 and a molecular weight of 352.95 g/mol. Its IUPAC name is 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
PubChem CID4996654
Molecular FormulaC14H25ClN2O2S2
Molecular Weight352.95 g/mol
Exact Mass352.10
IUPAC Name5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCCN(CCCC)CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H25ClN2O2S2/c1-3-5-10-17(11-6-4-2)12-9-16-21(18,19)14-8-7-13(15)20-14/h7-8,16H,3-6,9-12H2,1-2H3
InChIKeyBHEUYZFRXIFPAV-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
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CID 113056910
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
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5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
N-(2-bromo-3-ethylpentyl)-5-chlorothiophene-2-sulfonamide
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2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 86780843
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
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1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
CID 134117146
5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
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CID 56684506

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide (CID 4996654) is 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide is CCCCN(CCCC)CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is BHEUYZFRXIFPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2O2S2/c1-3-5-10-17(11-6-4-2)12-9-16-21(18,19)14-8-7-13(15)20-14/h7-8,16H,3-6,9-12H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 352.95 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4996654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).