N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

C12H19F2N3O2S — CID 126799788

IUPACN-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3O2S/c1-9-11(8-17(2)16-9)20(18,19)15-7-10-3-5-12(13,14)6-4-10/h8,10,15H,3-7H2,1-2H3
InChIKeyVTHRJMCWTNJWQW-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.83
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 126799788) has the molecular formula C12H19F2N3O2S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID126799788
Molecular FormulaC12H19F2N3O2S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3O2S/c1-9-11(8-17(2)16-9)20(18,19)15-7-10-3-5-12(13,14)6-4-10/h8,10,15H,3-7H2,1-2H3
InChIKeyVTHRJMCWTNJWQW-UHFFFAOYSA-N
XLogP1.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6468008
1-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 4469354
1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681198
1-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247405
N-(3-(dimethylamino)propyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 71780067
1-((1-(Difluoromethyl)-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 19620796
1,5-dimethyl-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 129538947
1-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
CID 10518101
1-[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
CID 10591108
4-[2-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpropan-2-yl]piperidine
CID 122424296
(S)-4-(1-((3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)piperidine
CID 122424328

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 126799788) is N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCC1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is VTHRJMCWTNJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2S/c1-9-11(8-17(2)16-9)20(18,19)15-7-10-3-5-12(13,14)6-4-10/h8,10,15H,3-7H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 126799788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).