2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride

C8H16ClNO4S2 — CID 165475141

IUPAC2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H16ClNO4S2/c9-15(11,12)7-8-16(13,14)10-5-3-1-2-4-6-10/h1-8H2
InChIKeyVLQQSRKEQJINQR-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.76
Rot. Bonds4

About 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride

2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride (PubChem CID 165475141) has the molecular formula C8H16ClNO4S2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
PubChem CID165475141
Molecular FormulaC8H16ClNO4S2
Molecular Weight289.81 g/mol
Exact Mass289.02
IUPAC Name2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H16ClNO4S2/c9-15(11,12)7-8-16(13,14)10-5-3-1-2-4-6-10/h1-8H2
InChIKeyVLQQSRKEQJINQR-UHFFFAOYSA-N
XLogP0.76
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
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2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
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4-(azepan-1-ylsulfonyl)butan-1-amine
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1-(3-methylbutylsulfonyl)piperidine
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2-[[8,15-bis(2-trimethylsilylethylsulfonyl)-1,8,15-triazacyclohenicos-1-yl]sulfonyl]ethyl-trimethylsilane
CID 101272185
5-(azepan-1-ylsulfonyl)pentanoyl chloride
CID 28704871
1-(3-bromopropylsulfonyl)pyrrolidine
CID 170985713
N,N-diethyl-2-piperidin-1-ylsulfonylethanamine
CID 91417468
3-(azocan-1-yl)propane-1-sulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride?
The IUPAC name of 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride (CID 165475141) is 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCS(=O)(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride?
The InChIKey is VLQQSRKEQJINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO4S2/c9-15(11,12)7-8-16(13,14)10-5-3-1-2-4-6-10/h1-8H2.
What are the key properties of 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride?
2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride has a molecular weight of 289.81 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride is sourced from PubChem (CID 165475141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).