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

C12H13ClN2O3S — CID 82866185

IUPAC3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1ccn(C)n1
InChIInChI=1S/C12H13ClN2O3S/c1-9-7-11(19(13,16)17)3-4-12(9)18-8-10-5-6-15(2)14-10/h3-7H,8H2,1-2H3
InChIKeyZWNVDDNFEYBEER-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.24
Rot. Bonds4

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

3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82866185) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82866185
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1ccn(C)n1
InChIInChI=1S/C12H13ClN2O3S/c1-9-7-11(19(13,16)17)3-4-12(9)18-8-10-5-6-15(2)14-10/h3-7H,8H2,1-2H3
InChIKeyZWNVDDNFEYBEER-UHFFFAOYSA-N
XLogP2.24
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870264
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonyl chloride
CID 82917401
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010
3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 64773470
4-(3-imidazol-1-ylpropoxy)-3-methylbenzenesulfonyl chloride
CID 82917400
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82869265
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 82915914
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 62126152
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]benzaldehyde
CID 82865855

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82866185) is 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1OCc1ccn(C)n1.
What is the InChIKey of 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is ZWNVDDNFEYBEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-9-7-11(19(13,16)17)3-4-12(9)18-8-10-5-6-15(2)14-10/h3-7H,8H2,1-2H3.
What are the key properties of 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride?
3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 300.77 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82866185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).