1-chloro-N-cycloheptylmethanesulfonamide

C8H16ClNO2S — CID 63666370

IUPAC1-chloro-N-cycloheptylmethanesulfonamide
SMILESO=S(=O)(CCl)NC1CCCCCC1
InChIInChI=1S/C8H16ClNO2S/c9-7-13(11,12)10-8-5-3-1-2-4-6-8/h8,10H,1-7H2
InChIKeyYQLJZZVGRDGYOL-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.82
Rot. Bonds3

About 1-chloro-N-cycloheptylmethanesulfonamide

1-chloro-N-cycloheptylmethanesulfonamide (PubChem CID 63666370) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 1-chloro-N-cycloheptylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-cycloheptylmethanesulfonamide
PubChem CID63666370
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name1-chloro-N-cycloheptylmethanesulfonamide
SMILESO=S(=O)(CCl)NC1CCCCCC1
InChIInChI=1S/C8H16ClNO2S/c9-7-13(11,12)10-8-5-3-1-2-4-6-8/h8,10H,1-7H2
InChIKeyYQLJZZVGRDGYOL-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
N-cyclohexyl-2,2-dimethylpropane-1-sulfonamide
CID 64591382
N-cyclohexylprop-2-ene-1-sulfonamide
CID 78925210
2-amino-N-cyclohexylethanesulfonamide chloride
CID 53347795
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
N-cyclohexylsulfamoyl iodide
CID 155625677
1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide
CID 65472618
1-(azetidin-2-yl)-N-cyclohexylmethanesulfonamide
CID 115071232
1-(azetidin-3-yl)-N-cyclohexylmethanesulfonamide
CID 115039138
N-cycloheptylmethanesulfonamide
CID 3113423
cyclononylsulfamic acid
CID 67135870

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-cycloheptylmethanesulfonamide?
The IUPAC name of 1-chloro-N-cycloheptylmethanesulfonamide (CID 63666370) is 1-chloro-N-cycloheptylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-cycloheptylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-cycloheptylmethanesulfonamide is O=S(=O)(CCl)NC1CCCCCC1.
What is the InChIKey of 1-chloro-N-cycloheptylmethanesulfonamide?
The InChIKey is YQLJZZVGRDGYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c9-7-13(11,12)10-8-5-3-1-2-4-6-8/h8,10H,1-7H2.
What are the key properties of 1-chloro-N-cycloheptylmethanesulfonamide?
1-chloro-N-cycloheptylmethanesulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-cycloheptylmethanesulfonamide is sourced from PubChem (CID 63666370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).