2-chloro-N-oxocyclohexane-1-sulfonamide

C6H10ClNO3S — CID 149414086

IUPAC2-chloro-N-oxocyclohexane-1-sulfonamide
SMILESO=NS(=O)(=O)C1CCCCC1Cl
InChIInChI=1S/C6H10ClNO3S/c7-5-3-1-2-4-6(5)12(10,11)8-9/h5-6H,1-4H2
InChIKeyYRVHDGFVOJHXSG-UHFFFAOYSA-N
MW211.67 g/mol
LogP1.63
Rot. Bonds2

About 2-chloro-N-oxocyclohexane-1-sulfonamide

2-chloro-N-oxocyclohexane-1-sulfonamide (PubChem CID 149414086) has the molecular formula C6H10ClNO3S and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-chloro-N-oxocyclohexane-1-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-oxocyclohexane-1-sulfonamide
PubChem CID149414086
Molecular FormulaC6H10ClNO3S
Molecular Weight211.67 g/mol
Exact Mass211.01
IUPAC Name2-chloro-N-oxocyclohexane-1-sulfonamide
SMILESO=NS(=O)(=O)C1CCCCC1Cl
InChIInChI=1S/C6H10ClNO3S/c7-5-3-1-2-4-6(5)12(10,11)8-9/h5-6H,1-4H2
InChIKeyYRVHDGFVOJHXSG-UHFFFAOYSA-N
XLogP1.63
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-bromo-5-(2-chlorocyclohexyl)sulfonyl-1,2,4-thiadiazole
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N-[(2-chlorocyclohexyl)methyl]cyclopentanesulfonamide
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1,2,3,4,5,6-hexachlorocyclodecane
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cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
CID 98123735
1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
CID 66796028
N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
CID 65031045
2-cyclopentylsulfonylcycloheptan-1-amine
CID 64673719
cyclopentanesulfonic acid
CID 15707015
2-ethylcyclohexane-1-sulfonyl chloride
CID 63863375
1-chloro-2-(3-methylsulfonylpropyl)cycloheptane
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CID 106729081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-oxocyclohexane-1-sulfonamide?
The IUPAC name of 2-chloro-N-oxocyclohexane-1-sulfonamide (CID 149414086) is 2-chloro-N-oxocyclohexane-1-sulfonamide.
What is the SMILES notation for 2-chloro-N-oxocyclohexane-1-sulfonamide?
The canonical SMILES for 2-chloro-N-oxocyclohexane-1-sulfonamide is O=NS(=O)(=O)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-oxocyclohexane-1-sulfonamide?
The InChIKey is YRVHDGFVOJHXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO3S/c7-5-3-1-2-4-6(5)12(10,11)8-9/h5-6H,1-4H2.
What are the key properties of 2-chloro-N-oxocyclohexane-1-sulfonamide?
2-chloro-N-oxocyclohexane-1-sulfonamide has a molecular weight of 211.67 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-oxocyclohexane-1-sulfonamide is sourced from PubChem (CID 149414086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).