3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

C11H11Cl2N3O3S — CID 62127983

IUPAC3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2c(Cl)cc(S(N)(=O)=O)cc2Cl)cn1
InChIInChI=1S/C11H11Cl2N3O3S/c1-16-5-7(4-15-16)6-19-11-9(12)2-8(3-10(11)13)20(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyYYEVVADAYUACMJ-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.95
Rot. Bonds4

About 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 62127983) has the molecular formula C11H11Cl2N3O3S and a molecular weight of 336.20 g/mol. Its IUPAC name is 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
PubChem CID62127983
Molecular FormulaC11H11Cl2N3O3S
Molecular Weight336.20 g/mol
Exact Mass334.99
IUPAC Name3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2c(Cl)cc(S(N)(=O)=O)cc2Cl)cn1
InChIInChI=1S/C11H11Cl2N3O3S/c1-16-5-7(4-15-16)6-19-11-9(12)2-8(3-10(11)13)20(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyYYEVVADAYUACMJ-UHFFFAOYSA-N
XLogP1.95
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 4089498
4-(2,4-Dichlorophenoxy)-1-(1,4-dimethyl-1H-pyrazole-5-sulfonyl)piperidine
CID 72549792
3-fluoro-4-[(1-methyl-1H-pyrazol-4-yl)methoxy]benzene-1-sulfonyl chloride
CID 55041423
3-Fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 62126751
4-[(1-Ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
CID 62126752
2,3-Difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 63038164
4-[(1-Ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide
CID 63038335
4-[(1-Ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 81264849
4-[(1-Ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide
CID 81264874
3,5-Difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 81268227
3,5-Difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
CID 81268369
4-ethoxy-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 22771377

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (CID 62127983) is 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is Cn1cc(COc2c(Cl)cc(S(N)(=O)=O)cc2Cl)cn1.
What is the InChIKey of 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is YYEVVADAYUACMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3S/c1-16-5-7(4-15-16)6-19-11-9(12)2-8(3-10(11)13)20(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18).
What are the key properties of 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 336.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 62127983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).