1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide

C14H18F2N4O2S — CID 51597908

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@H](C)Cc1ccccn1
InChIInChI=1S/C14H18F2N4O2S/c1-9(8-12-6-4-5-7-17-12)19-23(21,22)13-10(2)18-20(11(13)3)14(15)16/h4-7,9,14,19H,8H2,1-3H3/t9-/m1/s1
InChIKeyIEVZYQNIHARBJG-SECBINFHSA-N
MW344.39 g/mol
LogP2.20
Rot. Bonds6

About 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide

1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 51597908) has the molecular formula C14H18F2N4O2S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide
PubChem CID51597908
Molecular FormulaC14H18F2N4O2S
Molecular Weight344.39 g/mol
Exact Mass344.11
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@H](C)Cc1ccccn1
InChIInChI=1S/C14H18F2N4O2S/c1-9(8-12-6-4-5-7-17-12)19-23(21,22)13-10(2)18-20(11(13)3)14(15)16/h4-7,9,14,19H,8H2,1-3H3/t9-/m1/s1
InChIKeyIEVZYQNIHARBJG-SECBINFHSA-N
XLogP2.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-[[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylmethyl]phenyl]ethyl]pyridine
CID 58287508
N,N-dibenzyl-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19614787
4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide
CID 51597397
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 51853642
1-acetyl-2-methyl-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 46972299
(2R)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593356
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593354
1-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 19581972
6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 46972338
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
N-(2-propan-2-ylsulfanylethyl)-1-pyridin-2-ylpropan-2-amine
CID 137425887
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19582943

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide (CID 51597908) is 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@H](C)Cc1ccccn1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is IEVZYQNIHARBJG-SECBINFHSA-N. The full InChI is InChI=1S/C14H18F2N4O2S/c1-9(8-12-6-4-5-7-17-12)19-23(21,22)13-10(2)18-20(11(13)3)14(15)16/h4-7,9,14,19H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51597908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).