N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide

C19H21N3O2S — CID 1298622

IUPACN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccccc3)c2C)cc1C
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-17(12-14(13)2)22-16(4)19(15(3)20-22)21-25(23,24)18-8-6-5-7-9-18/h5-12,21H,1-4H3
InChIKeyCNAVWEHBSBPVKE-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide

N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide (PubChem CID 1298622) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
PubChem CID1298622
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccccc3)c2C)cc1C
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-17(12-14(13)2)22-16(4)19(15(3)20-22)21-25(23,24)18-8-6-5-7-9-18/h5-12,21H,1-4H3
InChIKeyCNAVWEHBSBPVKE-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide (CID 1298622) is N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide is Cc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccccc3)c2C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The InChIKey is CNAVWEHBSBPVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-10-11-17(12-14(13)2)22-16(4)19(15(3)20-22)21-25(23,24)18-8-6-5-7-9-18/h5-12,21H,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 1298622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).