3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride

C11H10ClFN2O3S — CID 82865967

IUPAC3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCn1ccc(COc2ccc(S(=O)(=O)Cl)cc2F)n1
InChIInChI=1S/C11H10ClFN2O3S/c1-15-5-4-8(14-15)7-18-11-3-2-9(6-10(11)13)19(12,16)17/h2-6H,7H2,1H3
InChIKeyMJQLLVRPBBCTOI-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.07
Rot. Bonds4

About 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride

3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82865967) has the molecular formula C11H10ClFN2O3S and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82865967
Molecular FormulaC11H10ClFN2O3S
Molecular Weight304.73 g/mol
Exact Mass304.01
IUPAC Name3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCn1ccc(COc2ccc(S(=O)(=O)Cl)cc2F)n1
InChIInChI=1S/C11H10ClFN2O3S/c1-15-5-4-8(14-15)7-18-11-3-2-9(6-10(11)13)19(12,16)17/h2-6H,7H2,1H3
InChIKeyMJQLLVRPBBCTOI-UHFFFAOYSA-N
XLogP2.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82866185
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
[4-fluoro-3-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 114674723
2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82869265
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]benzaldehyde
CID 82865855

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82865967) is 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride is Cn1ccc(COc2ccc(S(=O)(=O)Cl)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is MJQLLVRPBBCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S/c1-15-5-4-8(14-15)7-18-11-3-2-9(6-10(11)13)19(12,16)17/h2-6H,7H2,1H3.
What are the key properties of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 304.73 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82865967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).