(3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide

C30H31ClN4O5S — CID 10282075

IUPAC(3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESC/C(=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21)C1Cc2cc(OCCN3CCOCC3)ccc2N1
InChIInChI=1S/C30H31ClN4O5S/c1-19(28-16-20-15-23(5-7-26(20)32-28)40-14-11-35-9-12-39-13-10-35)29-25-18-24(6-8-27(25)33-30(29)36)41(37,38)34-22-4-2-3-21(31)17-22/h2-8,15,17-18,28,32,34H,9-14,16H2,1H3,(H,33,36)/b29-19-
InChIKeyJLBUHDUJNUXAHO-CEUNXORHSA-N
MW595.12 g/mol
LogP4.61
Rot. Bonds8

About (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide

(3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 10282075) has the molecular formula C30H31ClN4O5S and a molecular weight of 595.12 g/mol. Its IUPAC name is (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID10282075
Molecular FormulaC30H31ClN4O5S
Molecular Weight595.12 g/mol
Exact Mass594.17
IUPAC Name(3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESC/C(=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21)C1Cc2cc(OCCN3CCOCC3)ccc2N1
InChIInChI=1S/C30H31ClN4O5S/c1-19(28-16-20-15-23(5-7-26(20)32-28)40-14-11-35-9-12-39-13-10-35)29-25-18-24(6-8-27(25)33-30(29)36)41(37,38)34-22-4-2-3-21(31)17-22/h2-8,15,17-18,28,32,34H,9-14,16H2,1H3,(H,33,36)/b29-19-
InChIKeyJLBUHDUJNUXAHO-CEUNXORHSA-N
XLogP4.61
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.12
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide (CID 10282075) is (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide is C/C(=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21)C1Cc2cc(OCCN3CCOCC3)ccc2N1.
What is the InChIKey of (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is JLBUHDUJNUXAHO-CEUNXORHSA-N. The full InChI is InChI=1S/C30H31ClN4O5S/c1-19(28-16-20-15-23(5-7-26(20)32-28)40-14-11-35-9-12-39-13-10-35)29-25-18-24(6-8-27(25)33-30(29)36)41(37,38)34-22-4-2-3-21(31)17-22/h2-8,15,17-18,28,32,34H,9-14,16H2,1H3,(H,33,36)/b29-19-.
What are the key properties of (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide?
(3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 595.12 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(3-chlorophenyl)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 10282075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).