3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide

C14H19N3O3S — CID 103003963

IUPAC3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1OCCc1cnn(C)c1
InChIInChI=1S/C14H19N3O3S/c1-10-6-13(21(15,18)19)7-11(2)14(10)20-5-4-12-8-16-17(3)9-12/h6-9H,4-5H2,1-3H3,(H2,15,18,19)
InChIKeyKMFQGVWNTWVADF-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.31
Rot. Bonds5

About 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide

3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide (PubChem CID 103003963) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
PubChem CID103003963
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1OCCc1cnn(C)c1
InChIInChI=1S/C14H19N3O3S/c1-10-6-13(21(15,18)19)7-11(2)14(10)20-5-4-12-8-16-17(3)9-12/h6-9H,4-5H2,1-3H3,(H2,15,18,19)
InChIKeyKMFQGVWNTWVADF-UHFFFAOYSA-N
XLogP1.31
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999366
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 62127983
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913119
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
CID 103000398
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide (CID 103003963) is 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(C)c1OCCc1cnn(C)c1.
What is the InChIKey of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
The InChIKey is KMFQGVWNTWVADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-6-13(21(15,18)19)7-11(2)14(10)20-5-4-12-8-16-17(3)9-12/h6-9H,4-5H2,1-3H3,(H2,15,18,19).
What are the key properties of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 103003963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).