6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one

C23H23N3O4S — CID 15169663

IUPAC6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one
SMILESCN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C23H23N3O4S/c1-25(21-10-9-20-22-18(21)3-2-4-19(22)23(27)24-20)15-16-5-7-17(8-6-16)31(28,29)26-11-13-30-14-12-26/h2-10H,11-15H2,1H3,(H,24,27)
InChIKeyDWTAJESQOVCLMA-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.06
Rot. Bonds5

About 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one

6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one (PubChem CID 15169663) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one
PubChem CID15169663
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one
SMILESCN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C23H23N3O4S/c1-25(21-10-9-20-22-18(21)3-2-4-19(22)23(27)24-20)15-16-5-7-17(8-6-16)31(28,29)26-11-13-30-14-12-26/h2-10H,11-15H2,1H3,(H,24,27)
InChIKeyDWTAJESQOVCLMA-UHFFFAOYSA-N
XLogP3.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9195406
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30749963
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 50760017
N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 26453025
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55663293
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
CID 60664900
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24520155
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one (CID 15169663) is 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one is CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one?
The InChIKey is DWTAJESQOVCLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-25(21-10-9-20-22-18(21)3-2-4-19(22)23(27)24-20)15-16-5-7-17(8-6-16)31(28,29)26-11-13-30-14-12-26/h2-10H,11-15H2,1H3,(H,24,27).
What are the key properties of 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one?
6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one has a molecular weight of 437.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 15169663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).