3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide

C14H19N3O3S — CID 64773470

IUPAC3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C14H19N3O3S/c1-10(2)17-7-6-12(16-17)9-20-14-5-4-13(8-11(14)3)21(15,18)19/h4-8,10H,9H2,1-3H3,(H2,15,18,19)
InChIKeyVXMZAYYKQLKDAI-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.00
Rot. Bonds5

About 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide

3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 64773470) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
PubChem CID64773470
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C14H19N3O3S/c1-10(2)17-7-6-12(16-17)9-20-14-5-4-13(8-11(14)3)21(15,18)19/h4-8,10H,9H2,1-3H3,(H2,15,18,19)
InChIKeyVXMZAYYKQLKDAI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82866185
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921804
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
5-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 64772330
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82910957
N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 107656724
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
3-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772922
3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 64773216

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide (CID 64773470) is 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1OCc1ccn(C(C)C)n1.
What is the InChIKey of 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is VXMZAYYKQLKDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(2)17-7-6-12(16-17)9-20-14-5-4-13(8-11(14)3)21(15,18)19/h4-8,10H,9H2,1-3H3,(H2,15,18,19).
What are the key properties of 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide?
3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 64773470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).