(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride

C11H12Cl2O4S — CID 117495921

IUPAC(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(Cl)cc(CS(=O)(=O)Cl)c1OC1CC1
InChIInChI=1S/C11H12Cl2O4S/c1-16-10-5-8(12)4-7(6-18(13,14)15)11(10)17-9-2-3-9/h4-5,9H,2-3,6H2,1H3
InChIKeyLSCQAYDJDRVPHO-UHFFFAOYSA-N
MW311.19 g/mol
LogP2.96
Rot. Bonds5

About (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride

(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride (PubChem CID 117495921) has the molecular formula C11H12Cl2O4S and a molecular weight of 311.19 g/mol. Its IUPAC name is (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
PubChem CID117495921
Molecular FormulaC11H12Cl2O4S
Molecular Weight311.19 g/mol
Exact Mass309.98
IUPAC Name(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(Cl)cc(CS(=O)(=O)Cl)c1OC1CC1
InChIInChI=1S/C11H12Cl2O4S/c1-16-10-5-8(12)4-7(6-18(13,14)15)11(10)17-9-2-3-9/h4-5,9H,2-3,6H2,1H3
InChIKeyLSCQAYDJDRVPHO-UHFFFAOYSA-N
XLogP2.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
3-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-1-methylpyrrolidin-2-one
CID 104666868
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride (CID 117495921) is (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride is COc1cc(Cl)cc(CS(=O)(=O)Cl)c1OC1CC1.
What is the InChIKey of (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is LSCQAYDJDRVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O4S/c1-16-10-5-8(12)4-7(6-18(13,14)15)11(10)17-9-2-3-9/h4-5,9H,2-3,6H2,1H3.
What are the key properties of (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride?
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 311.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117495921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).