N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide

C14H23F2NO2S — CID 166283827

IUPACN-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide
SMILESCN(C1CCC(C(F)F)CC1)S(=O)(=O)C1CC12CCC2
InChIInChI=1S/C14H23F2NO2S/c1-17(11-5-3-10(4-6-11)13(15)16)20(18,19)12-9-14(12)7-2-8-14/h10-13H,2-9H2,1H3
InChIKeyMNPRWLCYNIIFLX-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.01
Rot. Bonds4

About N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide

N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide (PubChem CID 166283827) has the molecular formula C14H23F2NO2S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide
PubChem CID166283827
Molecular FormulaC14H23F2NO2S
Molecular Weight307.41 g/mol
Exact Mass307.14
IUPAC NameN-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide
SMILESCN(C1CCC(C(F)F)CC1)S(=O)(=O)C1CC12CCC2
InChIInChI=1S/C14H23F2NO2S/c1-17(11-5-3-10(4-6-11)13(15)16)20(18,19)12-9-14(12)7-2-8-14/h10-13H,2-9H2,1H3
InChIKeyMNPRWLCYNIIFLX-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide?
The IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide (CID 166283827) is N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide?
The canonical SMILES for N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide is CN(C1CCC(C(F)F)CC1)S(=O)(=O)C1CC12CCC2.
What is the InChIKey of N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide?
The InChIKey is MNPRWLCYNIIFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2S/c1-17(11-5-3-10(4-6-11)13(15)16)20(18,19)12-9-14(12)7-2-8-14/h10-13H,2-9H2,1H3.
What are the key properties of N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide?
N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide has a molecular weight of 307.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)cyclohexyl]-N-methylspiro[2.3]hexane-2-sulfonamide is sourced from PubChem (CID 166283827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).