2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride

C13H17ClO4S — CID 82368542

IUPAC2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride
SMILESCCCOc1ccc(C2CC2S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C13H17ClO4S/c1-3-6-18-11-5-4-9(7-12(11)17-2)10-8-13(10)19(14,15)16/h4-5,7,10,13H,3,6,8H2,1-2H3
InChIKeyHXQHNUYGNFGDMN-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.91
Rot. Bonds6

About 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride

2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride (PubChem CID 82368542) has the molecular formula C13H17ClO4S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride
PubChem CID82368542
Molecular FormulaC13H17ClO4S
Molecular Weight304.80 g/mol
Exact Mass304.05
IUPAC Name2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride
SMILESCCCOc1ccc(C2CC2S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C13H17ClO4S/c1-3-6-18-11-5-4-9(7-12(11)17-2)10-8-13(10)19(14,15)16/h4-5,7,10,13H,3,6,8H2,1-2H3
InChIKeyHXQHNUYGNFGDMN-UHFFFAOYSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol
CID 81416544
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 154383415
3-(3,4-dipropoxyphenyl)-N,2-dimethylcyclobutan-1-amine
CID 81417456
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
CID 82193078
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110539094
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
ethyl (4R)-4-(3-methoxy-4-propoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2291354
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine
CID 29225745

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride (CID 82368542) is 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride is CCCOc1ccc(C2CC2S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is HXQHNUYGNFGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO4S/c1-3-6-18-11-5-4-9(7-12(11)17-2)10-8-13(10)19(14,15)16/h4-5,7,10,13H,3,6,8H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride?
2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 304.80 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 82368542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).