4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

C17H17N3O2S — CID 19355389

IUPAC4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H17N3O2S/c1-11-3-4-14(9-12(11)2)16-10-19-20-17(16)13-5-7-15(8-6-13)23(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyYILCNPPRMOECTO-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.01
Rot. Bonds3

About 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 19355389) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID19355389
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H17N3O2S/c1-11-3-4-14(9-12(11)2)16-10-19-20-17(16)13-5-7-15(8-6-13)23(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyYILCNPPRMOECTO-UHFFFAOYSA-N
XLogP3.01
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 19355389) is 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is Cc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is YILCNPPRMOECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-3-4-14(9-12(11)2)16-10-19-20-17(16)13-5-7-15(8-6-13)23(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19355389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).