N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide

C13H14N4O2S2 — CID 42283379

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NC1=NCCS1
InChIInChI=1S/C13H14N4O2S2/c1-10-12(21(18,19)16-13-14-7-8-20-13)9-17(15-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyXPYLWIJBHJIZFK-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.56
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283379) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283379
Molecular FormulaC13H14N4O2S2
Molecular Weight322.41 g/mol
Exact Mass322.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NC1=NCCS1
InChIInChI=1S/C13H14N4O2S2/c1-10-12(21(18,19)16-13-14-7-8-20-13)9-17(15-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyXPYLWIJBHJIZFK-UHFFFAOYSA-N
XLogP1.56
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
US9156811, Ddd71294
CID 57391848
N-[(E)-(3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 6900184
1-phenyl-1H-pyrazole-5-sulfonamide
CID 14049160
Benzenesulfonamide, 3-fluoro-4-(1H-pyrazol-1-yl)-
CID 54594288
N,N-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 47439855
3-(Ethylsulfonylmethyl)-1-(3-fluorophenyl)pyrazole
CID 53582987
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1-phenylpyrazole-4-sulfonamide
CID 172433237
5-methyl-N-(2-methylpyrazol-3-yl)-1-phenylpyrazole-4-sulfonamide
CID 172433341
N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 5295517
2-(4-iodo-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 165949942
N,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 164889283

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283379) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is XPYLWIJBHJIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-10-12(21(18,19)16-13-14-7-8-20-13)9-17(15-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).