4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide

C22H19N3O3S2 — CID 3389146

IUPAC4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-25(2)30(27,28)16-10-8-14(9-11-16)21(26)24-22-23-20-17-5-3-4-13-6-7-15(19(13)17)12-18(20)29-22/h3-5,8-12H,6-7H2,1-2H3,(H,23,24,26)
InChIKeyDSUXYNPOHJMVFM-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.05
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide

4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide (PubChem CID 3389146) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
PubChem CID3389146
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC Name4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-25(2)30(27,28)16-10-8-14(9-11-16)21(26)24-22-23-20-17-5-3-4-13-6-7-15(19(13)17)12-18(20)29-22/h3-5,8-12H,6-7H2,1-2H3,(H,23,24,26)
InChIKeyDSUXYNPOHJMVFM-UHFFFAOYSA-N
XLogP4.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide (CID 3389146) is 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide?
The InChIKey is DSUXYNPOHJMVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-25(2)30(27,28)16-10-8-14(9-11-16)21(26)24-22-23-20-17-5-3-4-13-6-7-15(19(13)17)12-18(20)29-22/h3-5,8-12H,6-7H2,1-2H3,(H,23,24,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide?
4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide has a molecular weight of 437.55 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide is sourced from PubChem (CID 3389146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).