N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

C13H16F2N4O2S — CID 126831731

IUPACN-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C13H16F2N4O2S/c1-7(2)19-9(4)12(8(3)17-19)22(20,21)18-10-5-6-11(14)16-13(10)15/h5-7,18H,1-4H3
InChIKeyPGNAGVKSJVLMAB-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.55
Rot. Bonds4

About N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 126831731) has the molecular formula C13H16F2N4O2S and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID126831731
Molecular FormulaC13H16F2N4O2S
Molecular Weight330.36 g/mol
Exact Mass330.10
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C13H16F2N4O2S/c1-7(2)19-9(4)12(8(3)17-19)22(20,21)18-10-5-6-11(14)16-13(10)15/h5-7,18H,1-4H3
InChIKeyPGNAGVKSJVLMAB-UHFFFAOYSA-N
XLogP2.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 56791197
N-(2,6-difluoro-3-pyridinyl)methanesulfonamide
CID 103098097
3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71857787
1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
CID 103098247
4-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 55900859
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
CID 103098172
(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 95350278

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 126831731) is N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is PGNAGVKSJVLMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O2S/c1-7(2)19-9(4)12(8(3)17-19)22(20,21)18-10-5-6-11(14)16-13(10)15/h5-7,18H,1-4H3.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 330.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 126831731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).