13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C32H37FN4O4S — CID 16666917

IUPAC13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(F)CC1)=Cc1ccccc1-3
InChIInChI=1S/C32H37FN4O4S/c1-35(2)42(40,41)34-31(38)23-12-13-27-28(19-23)37-20-24(32(39)36-16-14-25(33)15-17-36)18-22-10-6-7-11-26(22)30(37)29(27)21-8-4-3-5-9-21/h6-7,10-13,18-19,21,25H,3-5,8-9,14-17,20H2,1-2H3,(H,34,38)
InChIKeyRKMUZUYGCCWGKN-UHFFFAOYSA-N
MW592.74 g/mol
LogP5.25
Rot. Bonds5

About 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 16666917) has the molecular formula C32H37FN4O4S and a molecular weight of 592.74 g/mol. Its IUPAC name is 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

Compound Name13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
PubChem CID16666917
Molecular FormulaC32H37FN4O4S
Molecular Weight592.74 g/mol
Exact Mass592.25
IUPAC Name13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(F)CC1)=Cc1ccccc1-3
InChIInChI=1S/C32H37FN4O4S/c1-35(2)42(40,41)34-31(38)23-12-13-27-28(19-23)37-20-24(32(39)36-16-14-25(33)15-17-36)18-22-10-6-7-11-26(22)30(37)29(27)21-8-4-3-5-9-21/h6-7,10-13,18-19,21,25H,3-5,8-9,14-17,20H2,1-2H3,(H,34,38)
InChIKeyRKMUZUYGCCWGKN-UHFFFAOYSA-N
XLogP5.25
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The IUPAC name of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 16666917) is 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.
What is the SMILES notation for 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The canonical SMILES for 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(F)CC1)=Cc1ccccc1-3.
What is the InChIKey of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The InChIKey is RKMUZUYGCCWGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O4S/c1-35(2)42(40,41)34-31(38)23-12-13-27-28(19-23)37-20-24(32(39)36-16-14-25(33)15-17-36)18-22-10-6-7-11-26(22)30(37)29(27)21-8-4-3-5-9-21/h6-7,10-13,18-19,21,25H,3-5,8-9,14-17,20H2,1-2H3,(H,34,38).
What are the key properties of 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 592.74 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-fluoropiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 16666917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).