potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide

C22H23Cl2KN2O4S — CID 158210629

IUPACpotassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide
SMILESCC(=O)O.O=S(=O)(NC1CCCCC1)c1cc(-c2[c-]c3c(Cl)cccc3[nH]2)ccc1Cl.[K+]
InChIInChI=1S/C20H19Cl2N2O2S.C2H4O2.K/c21-16-7-4-8-18-15(16)12-19(23-18)13-9-10-17(22)20(11-13)27(25,26)24-14-5-2-1-3-6-14;1-2(3)4;/h4,7-11,14,23-24H,1-3,5-6H2;1H3,(H,3,4);/q-1;;+1
InChIKeyGISLMZZQNNMSRJ-UHFFFAOYSA-N
MW521.51 g/mol
LogP2.65
Rot. Bonds4

About potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide

potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide (PubChem CID 158210629) has the molecular formula C22H23Cl2KN2O4S and a molecular weight of 521.51 g/mol. Its IUPAC name is potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Namepotassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide
PubChem CID158210629
Molecular FormulaC22H23Cl2KN2O4S
Molecular Weight521.51 g/mol
Exact Mass520.04
IUPAC Namepotassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide
SMILESCC(=O)O.O=S(=O)(NC1CCCCC1)c1cc(-c2[c-]c3c(Cl)cccc3[nH]2)ccc1Cl.[K+]
InChIInChI=1S/C20H19Cl2N2O2S.C2H4O2.K/c21-16-7-4-8-18-15(16)12-19(23-18)13-9-10-17(22)20(11-13)27(25,26)24-14-5-2-1-3-6-14;1-2(3)4;/h4,7-11,14,23-24H,1-3,5-6H2;1H3,(H,3,4);/q-1;;+1
InChIKeyGISLMZZQNNMSRJ-UHFFFAOYSA-N
XLogP2.65
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.51
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide (CID 158210629) is potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide is CC(=O)O.O=S(=O)(NC1CCCCC1)c1cc(-c2[c-]c3c(Cl)cccc3[nH]2)ccc1Cl.[K+].
What is the InChIKey of potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is GISLMZZQNNMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N2O2S.C2H4O2.K/c21-16-7-4-8-18-15(16)12-19(23-18)13-9-10-17(22)20(11-13)27(25,26)24-14-5-2-1-3-6-14;1-2(3)4;/h4,7-11,14,23-24H,1-3,5-6H2;1H3,(H,3,4);/q-1;;+1.
What are the key properties of potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide?
potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 521.51 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 158210629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).