3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide

C11H19ClN2O2S — CID 43654150

IUPAC3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)CCCCl)CCCCCC1
InChIInChI=1S/C11H19ClN2O2S/c12-8-5-9-17(15,16)14-11(10-13)6-3-1-2-4-7-11/h14H,1-9H2
InChIKeyIXRMECJYMDGVHX-UHFFFAOYSA-N
MW278.80 g/mol
LogP2.15
Rot. Bonds5

About 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide

3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide (PubChem CID 43654150) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.80 g/mol. Its IUPAC name is 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide
PubChem CID43654150
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.80 g/mol
Exact Mass278.09
IUPAC Name3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)CCCCl)CCCCCC1
InChIInChI=1S/C11H19ClN2O2S/c12-8-5-9-17(15,16)14-11(10-13)6-3-1-2-4-7-11/h14H,1-9H2
InChIKeyIXRMECJYMDGVHX-UHFFFAOYSA-N
XLogP2.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocycloheptyl)-3-methylbutane-1-sulfonamide
CID 55259191
N-(1-cyanocycloheptyl)propane-2-sulfonamide
CID 61122497
N-(1-cyanocycloheptyl)cyclohexanesulfonamide
CID 61122696
N-(1-cyanocycloheptyl)propane-1-sulfonamide
CID 61123298
N-(1-cyanocycloheptyl)butane-1-sulfonamide
CID 61123500
N-(1-cyanocycloheptyl)ethanesulfonamide
CID 61123695
1-chloro-N-(1-cyanocycloheptyl)methanesulfonamide
CID 63665529
N-(1-cyanocycloheptyl)-2-methylpropane-1-sulfonamide
CID 64478595
N-(1-cyanocycloheptyl)-2,2-dimethylpropane-1-sulfonamide
CID 64478596
N-(1-cyanocycloheptyl)cyclopropanesulfonamide
CID 64552209
1-cyano-N-(1-cyanocycloheptyl)ethanesulfonamide
CID 65568462
1-cyano-N-(1-cyanocycloheptyl)methanesulfonamide
CID 65568694

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide (CID 43654150) is 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide is N#CC1(NS(=O)(=O)CCCCl)CCCCCC1.
What is the InChIKey of 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide?
The InChIKey is IXRMECJYMDGVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2S/c12-8-5-9-17(15,16)14-11(10-13)6-3-1-2-4-7-11/h14H,1-9H2.
What are the key properties of 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide?
3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide has a molecular weight of 278.80 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide is sourced from PubChem (CID 43654150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).