1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide

C9H15ClN2O2S — CID 63665529

IUPAC1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CCl)CCCCCC1
InChIInChI=1S/C9H15ClN2O2S/c10-8-15(13,14)12-9(7-11)5-3-1-2-4-6-9/h12H,1-6,8H2
InChIKeyWVJPHOJZXBETLB-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.72
Rot. Bonds3

About 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide

1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide (PubChem CID 63665529) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide
PubChem CID63665529
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC Name1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CCl)CCCCCC1
InChIInChI=1S/C9H15ClN2O2S/c10-8-15(13,14)12-9(7-11)5-3-1-2-4-6-9/h12H,1-6,8H2
InChIKeyWVJPHOJZXBETLB-UHFFFAOYSA-N
XLogP1.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide (CID 63665529) is 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide is N#CC1(NS(=O)(=O)CCl)CCCCCC1.
What is the InChIKey of 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide?
The InChIKey is WVJPHOJZXBETLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2S/c10-8-15(13,14)12-9(7-11)5-3-1-2-4-6-9/h12H,1-6,8H2.
What are the key properties of 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide?
1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide has a molecular weight of 250.75 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide is sourced from PubChem (CID 63665529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).