N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C21H18ClN3O4S — CID 55663293

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)c3cccc1c23
InChIInChI=1S/C21H18ClN3O4S/c22-15-5-2-6-17(20(15)25-9-11-29-12-10-25)24-30(27,28)18-8-7-16-19-13(18)3-1-4-14(19)21(26)23-16/h1-8,24H,9-12H2,(H,23,26)
InChIKeyYVNFBMAJJVCSDH-UHFFFAOYSA-N
MW443.91 g/mol
LogP3.70
Rot. Bonds4

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55663293) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55663293
Molecular FormulaC21H18ClN3O4S
Molecular Weight443.91 g/mol
Exact Mass443.07
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)c3cccc1c23
InChIInChI=1S/C21H18ClN3O4S/c22-15-5-2-6-17(20(15)25-9-11-29-12-10-25)24-30(27,28)18-8-7-16-19-13(18)3-1-4-14(19)21(26)23-16/h1-8,24H,9-12H2,(H,23,26)
InChIKeyYVNFBMAJJVCSDH-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 55663293) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)c3cccc1c23.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is YVNFBMAJJVCSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c22-15-5-2-6-17(20(15)25-9-11-29-12-10-25)24-30(27,28)18-8-7-16-19-13(18)3-1-4-14(19)21(26)23-16/h1-8,24H,9-12H2,(H,23,26).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 443.91 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55663293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).