N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide

C14H22F2N4O2S — CID 138013485

IUPACN-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide
SMILESO=S(=O)(NCc1cn(C2CCC2)nn1)C1CCC(C(F)F)CC1
InChIInChI=1S/C14H22F2N4O2S/c15-14(16)10-4-6-13(7-5-10)23(21,22)17-8-11-9-20(19-18-11)12-2-1-3-12/h9-10,12-14,17H,1-8H2
InChIKeyMWESPGMIGJBCQF-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.25
Rot. Bonds6

About N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide

N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide (PubChem CID 138013485) has the molecular formula C14H22F2N4O2S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide
PubChem CID138013485
Molecular FormulaC14H22F2N4O2S
Molecular Weight348.42 g/mol
Exact Mass348.14
IUPAC NameN-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide
SMILESO=S(=O)(NCc1cn(C2CCC2)nn1)C1CCC(C(F)F)CC1
InChIInChI=1S/C14H22F2N4O2S/c15-14(16)10-4-6-13(7-5-10)23(21,22)17-8-11-9-20(19-18-11)12-2-1-3-12/h9-10,12-14,17H,1-8H2
InChIKeyMWESPGMIGJBCQF-UHFFFAOYSA-N
XLogP2.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide?
The IUPAC name of N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide (CID 138013485) is N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide.
What is the SMILES notation for N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide?
The canonical SMILES for N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide is O=S(=O)(NCc1cn(C2CCC2)nn1)C1CCC(C(F)F)CC1.
What is the InChIKey of N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide?
The InChIKey is MWESPGMIGJBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2S/c15-14(16)10-4-6-13(7-5-10)23(21,22)17-8-11-9-20(19-18-11)12-2-1-3-12/h9-10,12-14,17H,1-8H2.
What are the key properties of N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide?
N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutyltriazol-4-yl)methyl]-4-(difluoromethyl)cyclohexane-1-sulfonamide is sourced from PubChem (CID 138013485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).