2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene

C10H9ClO3S — CID 82368780

IUPAC2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene
SMILESC#CCS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H9ClO3S/c1-3-6-15(12,13)8-4-5-10(14-2)9(11)7-8/h1,4-5,7H,6H2,2H3
InChIKeyFVAVJVSOLPAVCY-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.76
Rot. Bonds3

About 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene

2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene (PubChem CID 82368780) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene
PubChem CID82368780
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene
SMILESC#CCS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H9ClO3S/c1-3-6-15(12,13)8-4-5-10(14-2)9(11)7-8/h1,4-5,7H,6H2,2H3
InChIKeyFVAVJVSOLPAVCY-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
1-(3-chloro-4-methoxyphenyl)sulfonylethanone
CID 117037093
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 2975219
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene?
The IUPAC name of 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene (CID 82368780) is 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene.
What is the SMILES notation for 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene?
The canonical SMILES for 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene is C#CCS(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene?
The InChIKey is FVAVJVSOLPAVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c1-3-6-15(12,13)8-4-5-10(14-2)9(11)7-8/h1,4-5,7H,6H2,2H3.
What are the key properties of 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene?
2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene has a molecular weight of 244.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-prop-2-ynylsulfonylbenzene is sourced from PubChem (CID 82368780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).