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

C22H25N3O3S — CID 3164038

IUPAC4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H25N3O3S/c1-25(2)29(27,28)17-10-8-16(9-11-17)22(26)23-14-15-7-12-21-19(13-15)18-5-3-4-6-20(18)24-21/h7-13,24H,3-6,14H2,1-2H3,(H,23,26)
InChIKeyWTHZORIKKRRNKJ-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.23
Rot. Bonds5

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

4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (PubChem CID 3164038) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
PubChem CID3164038
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H25N3O3S/c1-25(2)29(27,28)17-10-8-16(9-11-17)22(26)23-14-15-7-12-21-19(13-15)18-5-3-4-6-20(18)24-21/h7-13,24H,3-6,14H2,1-2H3,(H,23,26)
InChIKeyWTHZORIKKRRNKJ-UHFFFAOYSA-N
XLogP3.23
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.23
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-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (CID 3164038) is 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The InChIKey is WTHZORIKKRRNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-25(2)29(27,28)17-10-8-16(9-11-17)22(26)23-14-15-7-12-21-19(13-15)18-5-3-4-6-20(18)24-21/h7-13,24H,3-6,14H2,1-2H3,(H,23,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide has a molecular weight of 411.53 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is sourced from PubChem (CID 3164038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).