2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde

C20H19ClN2O5S — CID 3803877

IUPAC2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESCOc1ccc(Cl)cc1-c1[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1C=O
InChIInChI=1S/C20H19ClN2O5S/c1-27-19-5-2-13(21)10-16(19)20-17(12-24)15-11-14(3-4-18(15)22-20)29(25,26)23-6-8-28-9-7-23/h2-5,10-12,22H,6-9H2,1H3
InChIKeyPACJXHNHHULKJO-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.33
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde

2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde (PubChem CID 3803877) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
PubChem CID3803877
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESCOc1ccc(Cl)cc1-c1[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1C=O
InChIInChI=1S/C20H19ClN2O5S/c1-27-19-5-2-13(21)10-16(19)20-17(12-24)15-11-14(3-4-18(15)22-20)29(25,26)23-6-8-28-9-7-23/h2-5,10-12,22H,6-9H2,1H3
InChIKeyPACJXHNHHULKJO-UHFFFAOYSA-N
XLogP3.33
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3752137
5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 4640983
2-(5-chloro-2-methoxyphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3778869
2-(4-methoxy-3-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3601736
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 46088188
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
2-(2,4-difluorophenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3807724
2-(4-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3842610
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
5-tert-butyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5143161

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde (CID 3803877) is 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde is COc1ccc(Cl)cc1-c1[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1C=O.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
The InChIKey is PACJXHNHHULKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-27-19-5-2-13(21)10-16(19)20-17(12-24)15-11-14(3-4-18(15)22-20)29(25,26)23-6-8-28-9-7-23/h2-5,10-12,22H,6-9H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde has a molecular weight of 434.90 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3803877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).