2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide

C11H11Cl2N3O3S — CID 82869265

IUPAC2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
SMILESCn1ccc(COc2ccc(S(N)(=O)=O)c(Cl)c2Cl)n1
InChIInChI=1S/C11H11Cl2N3O3S/c1-16-5-4-7(15-16)6-19-8-2-3-9(20(14,17)18)11(13)10(8)12/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyYUOUTWRSJSQXJX-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.95
Rot. Bonds4

About 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide

2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 82869265) has the molecular formula C11H11Cl2N3O3S and a molecular weight of 336.20 g/mol. Its IUPAC name is 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
PubChem CID82869265
Molecular FormulaC11H11Cl2N3O3S
Molecular Weight336.20 g/mol
Exact Mass334.99
IUPAC Name2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
SMILESCn1ccc(COc2ccc(S(N)(=O)=O)c(Cl)c2Cl)n1
InChIInChI=1S/C11H11Cl2N3O3S/c1-16-5-4-7(15-16)6-19-8-2-3-9(20(14,17)18)11(13)10(8)12/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyYUOUTWRSJSQXJX-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

2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82866185
2,3-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912874
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]benzaldehyde
CID 82865855
2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
CID 65098440
2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
CID 63191807
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide (CID 82869265) is 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide is Cn1ccc(COc2ccc(S(N)(=O)=O)c(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is YUOUTWRSJSQXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3S/c1-16-5-4-7(15-16)6-19-8-2-3-9(20(14,17)18)11(13)10(8)12/h2-5H,6H2,1H3,(H2,14,17,18).
What are the key properties of 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
2,3-dichloro-4-[(1-methylpyrazol-3-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 2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82869265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).