N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide

C16H23N3O3S — CID 71691361

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2cccc(COC(C)C)c2)cnn1C
InChIInChI=1S/C16H23N3O3S/c1-12(2)22-11-14-6-5-7-16(8-14)23(20,21)18-10-15-9-17-19(4)13(15)3/h5-9,12,18H,10-11H2,1-4H3
InChIKeyTUZFJMSWMYXTOY-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.13
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide (PubChem CID 71691361) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide
PubChem CID71691361
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2cccc(COC(C)C)c2)cnn1C
InChIInChI=1S/C16H23N3O3S/c1-12(2)22-11-14-6-5-7-16(8-14)23(20,21)18-10-15-9-17-19(4)13(15)3/h5-9,12,18H,10-11H2,1-4H3
InChIKeyTUZFJMSWMYXTOY-UHFFFAOYSA-N
XLogP2.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide (CID 71691361) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide is Cc1c(CNS(=O)(=O)c2cccc(COC(C)C)c2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide?
The InChIKey is TUZFJMSWMYXTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(2)22-11-14-6-5-7-16(8-14)23(20,21)18-10-15-9-17-19(4)13(15)3/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide is sourced from PubChem (CID 71691361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).