N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H15N3O2S — CID 4250803

IUPACN-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-9-12(10(2)15-14-9)18(16,17)13-8-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeyCXJWNNMFKNZBBV-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.51
Rot. Bonds4

About N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 4250803) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID4250803
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-9-12(10(2)15-14-9)18(16,17)13-8-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeyCXJWNNMFKNZBBV-UHFFFAOYSA-N
XLogP1.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 4250803) is N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CXJWNNMFKNZBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-12(10(2)15-14-9)18(16,17)13-8-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3,(H,14,15).
What are the key properties of N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 4250803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).