4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide

C25H30N4O3S — CID 70195507

IUPAC4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(N)ccc4c2C3=O)CC1
InChIInChI=1S/C25H30N4O3S/c1-25(2)20-13-16(15-9-11-29(12-10-15)33(31,32)28(3)4)5-7-18(20)23(30)22-19-8-6-17(26)14-21(19)27-24(22)25/h5-8,13-15,27H,9-12,26H2,1-4H3
InChIKeyKRFQJAGYVSTRAW-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.61
Rot. Bonds3

About 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide

4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 70195507) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID70195507
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(N)ccc4c2C3=O)CC1
InChIInChI=1S/C25H30N4O3S/c1-25(2)20-13-16(15-9-11-29(12-10-15)33(31,32)28(3)4)5-7-18(20)23(30)22-19-8-6-17(26)14-21(19)27-24(22)25/h5-8,13-15,27H,9-12,26H2,1-4H3
InChIKeyKRFQJAGYVSTRAW-UHFFFAOYSA-N
XLogP3.61
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide (CID 70195507) is 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(N)ccc4c2C3=O)CC1.
What is the InChIKey of 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is KRFQJAGYVSTRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-25(2)20-13-16(15-9-11-29(12-10-15)33(31,32)28(3)4)5-7-18(20)23(30)22-19-8-6-17(26)14-21(19)27-24(22)25/h5-8,13-15,27H,9-12,26H2,1-4H3.
What are the key properties of 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide?
4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 466.61 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 70195507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).