4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

C24H29N3O3S — CID 3452092

IUPAC4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C24H29N3O3S/c1-3-27(4-2)31(29,30)19-12-10-18(11-13-19)24(28)25-16-17-9-14-23-21(15-17)20-7-5-6-8-22(20)26-23/h9-15,26H,3-8,16H2,1-2H3,(H,25,28)
InChIKeyMRHRCNMHLQJQSF-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.01
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (PubChem CID 3452092) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
PubChem CID3452092
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C24H29N3O3S/c1-3-27(4-2)31(29,30)19-12-10-18(11-13-19)24(28)25-16-17-9-14-23-21(15-17)20-7-5-6-8-22(20)26-23/h9-15,26H,3-8,16H2,1-2H3,(H,25,28)
InChIKeyMRHRCNMHLQJQSF-UHFFFAOYSA-N
XLogP4.01
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (CID 3452092) is 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The InChIKey is MRHRCNMHLQJQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-3-27(4-2)31(29,30)19-12-10-18(11-13-19)24(28)25-16-17-9-14-23-21(15-17)20-7-5-6-8-22(20)26-23/h9-15,26H,3-8,16H2,1-2H3,(H,25,28).
What are the key properties of 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide has a molecular weight of 439.58 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is sourced from PubChem (CID 3452092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).