N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide

C8H13ClFNO2S — CID 91377287

IUPACN-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide
SMILESC=C1CC(NS(C)(=O)=O)C(Cl)CC1F
InChIInChI=1S/C8H13ClFNO2S/c1-5-3-8(11-14(2,12)13)6(9)4-7(5)10/h6-8,11H,1,3-4H2,2H3
InChIKeyPHFLMJGZUSWTCK-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.20
Rot. Bonds2

About N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide

N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide (PubChem CID 91377287) has the molecular formula C8H13ClFNO2S and a molecular weight of 241.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide
PubChem CID91377287
Molecular FormulaC8H13ClFNO2S
Molecular Weight241.71 g/mol
Exact Mass241.03
IUPAC NameN-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide
SMILESC=C1CC(NS(C)(=O)=O)C(Cl)CC1F
InChIInChI=1S/C8H13ClFNO2S/c1-5-3-8(11-14(2,12)13)6(9)4-7(5)10/h6-8,11H,1,3-4H2,2H3
InChIKeyPHFLMJGZUSWTCK-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide (CID 91377287) is N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide is C=C1CC(NS(C)(=O)=O)C(Cl)CC1F.
What is the InChIKey of N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide?
The InChIKey is PHFLMJGZUSWTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClFNO2S/c1-5-3-8(11-14(2,12)13)6(9)4-7(5)10/h6-8,11H,1,3-4H2,2H3.
What are the key properties of N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide?
N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide has a molecular weight of 241.71 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide is sourced from PubChem (CID 91377287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).