1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine

C23H23N3O2S — CID 139459366

IUPAC1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine
SMILESC=C(Nc1ccc(S(C)(=O)=O)cc1)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C23H23N3O2S/c1-4-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)25-16(2)24-17-9-12-19(13-10-17)29(3,27)28/h5-15,24-25H,2,4H2,1,3H3
InChIKeyUJNDILKOROCGSZ-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.21
Rot. Bonds6

About 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine

1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine (PubChem CID 139459366) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine
PubChem CID139459366
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine
SMILESC=C(Nc1ccc(S(C)(=O)=O)cc1)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C23H23N3O2S/c1-4-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)25-16(2)24-17-9-12-19(13-10-17)29(3,27)28/h5-15,24-25H,2,4H2,1,3H3
InChIKeyUJNDILKOROCGSZ-UHFFFAOYSA-N
XLogP5.21
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine (CID 139459366) is 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine is C=C(Nc1ccc(S(C)(=O)=O)cc1)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine?
The InChIKey is UJNDILKOROCGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-4-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)25-16(2)24-17-9-12-19(13-10-17)29(3,27)28/h5-15,24-25H,2,4H2,1,3H3.
What are the key properties of 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine?
1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine has a molecular weight of 405.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(9-ethylcarbazol-3-yl)-1-N-(4-methylsulfonylphenyl)ethene-1,1-diamine is sourced from PubChem (CID 139459366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).