4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride

C12H16ClNO3S2 — CID 65372779

IUPAC4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESO=C(c1csc(S(=O)(=O)Cl)c1)N1CCCCCCC1
InChIInChI=1S/C12H16ClNO3S2/c13-19(16,17)11-8-10(9-18-11)12(15)14-6-4-2-1-3-5-7-14/h8-9H,1-7H2
InChIKeySAEZDQSUMMZBGH-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.08
Rot. Bonds2

About 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride

4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride (PubChem CID 65372779) has the molecular formula C12H16ClNO3S2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
PubChem CID65372779
Molecular FormulaC12H16ClNO3S2
Molecular Weight321.85 g/mol
Exact Mass321.03
IUPAC Name4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESO=C(c1csc(S(=O)(=O)Cl)c1)N1CCCCCCC1
InChIInChI=1S/C12H16ClNO3S2/c13-19(16,17)11-8-10(9-18-11)12(15)14-6-4-2-1-3-5-7-14/h8-9H,1-7H2
InChIKeySAEZDQSUMMZBGH-UHFFFAOYSA-N
XLogP3.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65367626
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777456
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
piperidin-1-yl-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-3-yl]methanone
CID 50777455
4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
CID 50777606
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843

Frequently Asked Questions

What is the IUPAC name of 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride (CID 65372779) is 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride is O=C(c1csc(S(=O)(=O)Cl)c1)N1CCCCCCC1.
What is the InChIKey of 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride?
The InChIKey is SAEZDQSUMMZBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S2/c13-19(16,17)11-8-10(9-18-11)12(15)14-6-4-2-1-3-5-7-14/h8-9H,1-7H2.
What are the key properties of 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride?
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride has a molecular weight of 321.85 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65372779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).