N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide

C18H19N3O2S — CID 19615262

IUPACN-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-15-18(14-20(2)19-15)24(22,23)21(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3
InChIKeyZEMIUDQDVLMVRE-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.12
Rot. Bonds5

About N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide

N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide (PubChem CID 19615262) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
PubChem CID19615262
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-15-18(14-20(2)19-15)24(22,23)21(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3
InChIKeyZEMIUDQDVLMVRE-UHFFFAOYSA-N
XLogP3.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide (CID 19615262) is N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide?
The InChIKey is ZEMIUDQDVLMVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-15-18(14-20(2)19-15)24(22,23)21(17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide?
N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-dimethyl-N-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 19615262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).