N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

C14H19N3O2S — CID 71688335

IUPACN-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cnn(C(C)C)c2)c1C
InChIInChI=1S/C14H19N3O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-14-7-5-6-11(3)12(14)4/h5-10,16H,1-4H3
InChIKeyJAHGVWRPEADJLB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.88
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688335) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688335
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cnn(C(C)C)c2)c1C
InChIInChI=1S/C14H19N3O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-14-7-5-6-11(3)12(14)4/h5-10,16H,1-4H3
InChIKeyJAHGVWRPEADJLB-UHFFFAOYSA-N
XLogP2.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688396
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71993033
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 126839647
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688263
N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
N-(2-cyano-1-methylindolizin-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 127267488
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688335) is N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1cccc(NS(=O)(=O)c2cnn(C(C)C)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is JAHGVWRPEADJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-14-7-5-6-11(3)12(14)4/h5-10,16H,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).