7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine

C23H24N4O3S — CID 70293137

IUPAC7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine
SMILESCc1cc2c3c(cccc3c1NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C(N)=N2
InChIInChI=1S/C23H24N4O3S/c1-15-13-20-21-18(3-2-4-19(21)23(24)26-20)22(15)25-14-16-5-7-17(8-6-16)31(28,29)27-9-11-30-12-10-27/h2-8,13,25H,9-12,14H2,1H3,(H2,24,26)
InChIKeyPQTAKAIRWMMURT-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.13
Rot. Bonds5

About 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine

7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine (PubChem CID 70293137) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine.

Molecular Properties

Compound Name7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine
PubChem CID70293137
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine
SMILESCc1cc2c3c(cccc3c1NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C(N)=N2
InChIInChI=1S/C23H24N4O3S/c1-15-13-20-21-18(3-2-4-19(21)23(24)26-20)22(15)25-14-16-5-7-17(8-6-16)31(28,29)27-9-11-30-12-10-27/h2-8,13,25H,9-12,14H2,1H3,(H2,24,26)
InChIKeyPQTAKAIRWMMURT-UHFFFAOYSA-N
XLogP3.13
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 60597463
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316042
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 133358400
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine?
The IUPAC name of 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine (CID 70293137) is 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine.
What is the SMILES notation for 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine?
The canonical SMILES for 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine is Cc1cc2c3c(cccc3c1NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C(N)=N2.
What is the InChIKey of 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine?
The InChIKey is PQTAKAIRWMMURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-13-20-21-18(3-2-4-19(21)23(24)26-20)22(15)25-14-16-5-7-17(8-6-16)31(28,29)27-9-11-30-12-10-27/h2-8,13,25H,9-12,14H2,1H3,(H2,24,26).
What are the key properties of 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine?
7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine has a molecular weight of 436.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine is sourced from PubChem (CID 70293137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).