N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide

C14H13F3N2O4S — CID 91644693

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)O1
InChIInChI=1S/C14H13F3N2O4S/c1-8-2-5-12(23-8)13(20)19-24(21,22)10-4-3-9(7-18)11(6-10)14(15,16)17/h3-4,6,8,12H,2,5H2,1H3,(H,19,20)
InChIKeyKGCJBLZVMSZEBX-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.95
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide (PubChem CID 91644693) has the molecular formula C14H13F3N2O4S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide
PubChem CID91644693
Molecular FormulaC14H13F3N2O4S
Molecular Weight362.33 g/mol
Exact Mass362.05
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)O1
InChIInChI=1S/C14H13F3N2O4S/c1-8-2-5-12(23-8)13(20)19-24(21,22)10-4-3-9(7-18)11(6-10)14(15,16)17/h3-4,6,8,12H,2,5H2,1H3,(H,19,20)
InChIKeyKGCJBLZVMSZEBX-UHFFFAOYSA-N
XLogP1.95
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-2-methylbutanamide
CID 94188912
cis-(1S,2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99638693
methyl N-[(2S)-1-[[4-cyano-3-(trifluoromethyl)phenyl]sulfonylamino]-1-oxopropan-2-yl]carbamate
CID 166189234
N-(2-amino-2-methylpropyl)-4-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 119988446
4-cyano-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119973335
4-(2-amino-2-oxoethoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethoxybenzamide
CID 55757869
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55824238
4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119966060
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79755355
4-cyano-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120896081
(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 99819991
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 78895628

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide (CID 91644693) is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)O1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide?
The InChIKey is KGCJBLZVMSZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S/c1-8-2-5-12(23-8)13(20)19-24(21,22)10-4-3-9(7-18)11(6-10)14(15,16)17/h3-4,6,8,12H,2,5H2,1H3,(H,19,20).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide has a molecular weight of 362.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 91644693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).