4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride

C15H16ClNO4S — CID 146279114

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride
SMILESO=C1c2ccccc2C(=O)N1CC1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C15H16ClNO4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-4,10-11H,5-9H2
InChIKeyMZIMWGJEWQNZEI-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.41
Rot. Bonds3

About 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride

4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride (PubChem CID 146279114) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride
PubChem CID146279114
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride
SMILESO=C1c2ccccc2C(=O)N1CC1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C15H16ClNO4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-4,10-11H,5-9H2
InChIKeyMZIMWGJEWQNZEI-UHFFFAOYSA-N
XLogP2.41
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(benzylsulfanylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139958968
2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139958945
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
2-(1,3-dithiolan-2-ylmethyl)isoindole-1,3-dione
CID 135060706
2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 118735748
2-[[4-(hexoxymethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139959225
2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione
CID 153296319
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 61355974
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 2906211
2-[[(2R,3R,14S,15R)-3,14,15-tris[(1,3-dioxoisoindol-2-yl)methyl]-1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-yl]methyl]isoindole-1,3-dione
CID 99693408

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride (CID 146279114) is 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride is O=C1c2ccccc2C(=O)N1CC1CCC(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride?
The InChIKey is MZIMWGJEWQNZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-4,10-11H,5-9H2.
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride?
4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride has a molecular weight of 341.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 146279114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).