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

C14H19N3O3S — CID 71688832

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cccc(S(=O)(=O)NCc2cnn(C)c2C)c1
InChIInChI=1S/C14H19N3O3S/c1-11-13(8-15-17(11)2)9-16-21(18,19)14-6-4-5-12(7-14)10-20-3/h4-8,16H,9-10H2,1-3H3
InChIKeyLEDXRASVBOYNID-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.35
Rot. Bonds6

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide (PubChem CID 71688832) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide
PubChem CID71688832
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cccc(S(=O)(=O)NCc2cnn(C)c2C)c1
InChIInChI=1S/C14H19N3O3S/c1-11-13(8-15-17(11)2)9-16-21(18,19)14-6-4-5-12(7-14)10-20-3/h4-8,16H,9-10H2,1-3H3
InChIKeyLEDXRASVBOYNID-UHFFFAOYSA-N
XLogP1.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.35
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-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide (CID 71688832) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide is COCc1cccc(S(=O)(=O)NCc2cnn(C)c2C)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide?
The InChIKey is LEDXRASVBOYNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11-13(8-15-17(11)2)9-16-21(18,19)14-6-4-5-12(7-14)10-20-3/h4-8,16H,9-10H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.35, 6 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-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 71688832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).