1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile

C11H11NO3S — CID 116855151

IUPAC1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile
SMILESCOc1ccccc1S(=O)(=O)C1(C#N)CC1
InChIInChI=1S/C11H11NO3S/c1-15-9-4-2-3-5-10(9)16(13,14)11(8-12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyVWJKZCMKHOUQOX-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.53
Rot. Bonds3

About 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile

1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile (PubChem CID 116855151) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile
PubChem CID116855151
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile
SMILESCOc1ccccc1S(=O)(=O)C1(C#N)CC1
InChIInChI=1S/C11H11NO3S/c1-15-9-4-2-3-5-10(9)16(13,14)11(8-12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyVWJKZCMKHOUQOX-UHFFFAOYSA-N
XLogP1.53
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
CID 75508306
2-[1-[(2-methoxyphenyl)sulfonylmethyl]cyclopropyl]acetonitrile
CID 65494084
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
5-(2-fluorophenyl)sulfonylspiro[2.3]hexane-5-carbonitrile
CID 65008387
1-pyridin-2-ylsulfonylcyclopropane-1-carbonitrile
CID 116855148
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123808
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647
N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 60580456
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide
CID 136552437

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile (CID 116855151) is 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile is COc1ccccc1S(=O)(=O)C1(C#N)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile?
The InChIKey is VWJKZCMKHOUQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-9-4-2-3-5-10(9)16(13,14)11(8-12)6-7-11/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile?
1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile has a molecular weight of 237.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116855151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).