N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide

C14H21F2N3O3S — CID 138041823

IUPACN-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCC(F)(F)CC1)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H21F2N3O3S/c15-14(16)5-1-11(2-6-14)18-23(20,21)13-9-17-19(10-13)12-3-7-22-8-4-12/h9-12,18H,1-8H2
InChIKeyOCTVDEWRMHEDTO-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.09
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide

N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide (PubChem CID 138041823) has the molecular formula C14H21F2N3O3S and a molecular weight of 349.40 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
PubChem CID138041823
Molecular FormulaC14H21F2N3O3S
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC NameN-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCC(F)(F)CC1)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H21F2N3O3S/c15-14(16)5-1-11(2-6-14)18-23(20,21)13-9-17-19(10-13)12-3-7-22-8-4-12/h9-12,18H,1-8H2
InChIKeyOCTVDEWRMHEDTO-UHFFFAOYSA-N
XLogP2.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 124702095
N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 120584893
1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride
CID 154832131
1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
CID 99823190
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid
CID 154743695
2,2-dimethyl-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-3H-indole
CID 126825116
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 167788723
4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole
CID 146367376
N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 75496235

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide (CID 138041823) is N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide is O=S(=O)(NC1CCC(F)(F)CC1)c1cnn(C2CCOCC2)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The InChIKey is OCTVDEWRMHEDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O3S/c15-14(16)5-1-11(2-6-14)18-23(20,21)13-9-17-19(10-13)12-3-7-22-8-4-12/h9-12,18H,1-8H2.
What are the key properties of N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide has a molecular weight of 349.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 138041823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).