2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride

C12H11Cl3N2O3S — CID 62126886

IUPAC2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
SMILESCCn1cc(COc2ccc(S(=O)(=O)Cl)c(Cl)c2Cl)cn1
InChIInChI=1S/C12H11Cl3N2O3S/c1-2-17-6-8(5-16-17)7-20-9-3-4-10(21(15,18)19)12(14)11(9)13/h3-6H,2,7H2,1H3
InChIKeyHAVWAKYUMHJRFA-UHFFFAOYSA-N
MW369.66 g/mol
LogP3.72
Rot. Bonds5

About 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride

2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride (PubChem CID 62126886) has the molecular formula C12H11Cl3N2O3S and a molecular weight of 369.66 g/mol. Its IUPAC name is 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
PubChem CID62126886
Molecular FormulaC12H11Cl3N2O3S
Molecular Weight369.66 g/mol
Exact Mass367.96
IUPAC Name2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
SMILESCCn1cc(COc2ccc(S(=O)(=O)Cl)c(Cl)c2Cl)cn1
InChIInChI=1S/C12H11Cl3N2O3S/c1-2-17-6-8(5-16-17)7-20-9-3-4-10(21(15,18)19)12(14)11(9)13/h3-6H,2,7H2,1H3
InChIKeyHAVWAKYUMHJRFA-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 62126152
4-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62126933
3,5-dibromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
CID 62127238
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82912787
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 55040995
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzaldehyde
CID 55147721
[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-trifluoroboranuide
CID 63677026
1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 116540975

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride (CID 62126886) is 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride is CCn1cc(COc2ccc(S(=O)(=O)Cl)c(Cl)c2Cl)cn1.
What is the InChIKey of 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is HAVWAKYUMHJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O3S/c1-2-17-6-8(5-16-17)7-20-9-3-4-10(21(15,18)19)12(14)11(9)13/h3-6H,2,7H2,1H3.
What are the key properties of 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride?
2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 369.66 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 62126886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).