1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile

C15H19NO3S — CID 65017385

IUPAC1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCOc1ccc(S(=O)(=O)C2(C#N)CC(C(C)C)C2)cc1
InChIInChI=1S/C15H19NO3S/c1-11(2)12-8-15(9-12,10-16)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,11-12H,8-9H2,1-3H3
InChIKeyVMZLZBRPQZAMTO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile

1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile (PubChem CID 65017385) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile
PubChem CID65017385
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCOc1ccc(S(=O)(=O)C2(C#N)CC(C(C)C)C2)cc1
InChIInChI=1S/C15H19NO3S/c1-11(2)12-8-15(9-12,10-16)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,11-12H,8-9H2,1-3H3
InChIKeyVMZLZBRPQZAMTO-UHFFFAOYSA-N
XLogP2.80
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N-[(1S,3S)-1-cyano-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 99628826
N-[(1R,3R)-1-cyano-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 99628823
N-(1-cyano-3-methylcyclohexyl)-4-methoxybenzenesulfonamide
CID 86799167
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64691796
1-(4-methylphenyl)sulfonylcyclohexane-1-carbonitrile
CID 43419784
1-(4-methoxy-2-methylphenyl)sulfonylcyclobutane-1-carbonitrile
CID 117032338
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine
CID 87816621
2-[1-[(4-methoxyphenyl)sulfonylmethyl]cyclopropyl]acetonitrile
CID 65494904
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile (CID 65017385) is 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile is COc1ccc(S(=O)(=O)C2(C#N)CC(C(C)C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile?
The InChIKey is VMZLZBRPQZAMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(2)12-8-15(9-12,10-16)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,11-12H,8-9H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile?
1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile has a molecular weight of 293.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65017385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).