2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride

C12H11Cl3N2O3S — CID 103000398

IUPAC2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
SMILESCn1cc(CCOc2cc(Cl)c(S(=O)(=O)Cl)cc2Cl)cn1
InChIInChI=1S/C12H11Cl3N2O3S/c1-17-7-8(6-16-17)2-3-20-11-4-10(14)12(5-9(11)13)21(15,18)19/h4-7H,2-3H2,1H3
InChIKeyIBSKGRAZWOOXGS-UHFFFAOYSA-N
MW369.66 g/mol
LogP3.28
Rot. Bonds5

About 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride

2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 103000398) has the molecular formula C12H11Cl3N2O3S and a molecular weight of 369.66 g/mol. Its IUPAC name is 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
PubChem CID103000398
Molecular FormulaC12H11Cl3N2O3S
Molecular Weight369.66 g/mol
Exact Mass367.96
IUPAC Name2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
SMILESCn1cc(CCOc2cc(Cl)c(S(=O)(=O)Cl)cc2Cl)cn1
InChIInChI=1S/C12H11Cl3N2O3S/c1-17-7-8(6-16-17)2-3-20-11-4-10(14)12(5-9(11)13)21(15,18)19/h4-7H,2-3H2,1H3
InChIKeyIBSKGRAZWOOXGS-UHFFFAOYSA-N
XLogP3.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.66
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
CID 103000419
(E)-3-[3-chloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-enoic acid
CID 103003836
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003963
5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
CID 167971668
[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003499
3-chlorosulfonyl-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 62127414
4-[2-[5-(chloromethyl)-2-nitrophenoxy]ethyl]-1-methylpyrazole
CID 103003780
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999718
N-[[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999588
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
4-[2-(3,4-dichlorophenyl)sulfonylethyl]-1-methylpyrazole
CID 126828702

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride (CID 103000398) is 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride is Cn1cc(CCOc2cc(Cl)c(S(=O)(=O)Cl)cc2Cl)cn1.
What is the InChIKey of 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is IBSKGRAZWOOXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O3S/c1-17-7-8(6-16-17)2-3-20-11-4-10(14)12(5-9(11)13)21(15,18)19/h4-7H,2-3H2,1H3.
What are the key properties of 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride?
2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 369.66 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 103000398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).