N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

C24H36N4O3S — CID 20945852

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCN1CCN(CCCNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)CC1
InChIInChI=1S/C24H36N4O3S/c1-5-27-9-11-28(12-10-27)8-6-7-25-32(30,31)22-14-19-18(13-17(22)2)23-20(26-19)15-24(3,4)16-21(23)29/h13-14,25-26H,5-12,15-16H2,1-4H3
InChIKeyNJEISNCUBACNMA-UHFFFAOYSA-N
MW460.64 g/mol
LogP2.94
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20945852) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20945852
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCN1CCN(CCCNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)CC1
InChIInChI=1S/C24H36N4O3S/c1-5-27-9-11-28(12-10-27)8-6-7-25-32(30,31)22-14-19-18(13-17(22)2)23-20(26-19)15-24(3,4)16-21(23)29/h13-14,25-26H,5-12,15-16H2,1-4H3
InChIKeyNJEISNCUBACNMA-UHFFFAOYSA-N
XLogP2.94
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945767
7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 20945775
ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20945784
2,2,6-trimethyl-7-(3-phenylpyrrolidin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
CID 20945841
3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946071
2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
CID 20945797
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 51121163
3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946091
4-methoxy-2-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 99839771
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20945852) is N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is CCN1CCN(CCCNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is NJEISNCUBACNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-5-27-9-11-28(12-10-27)8-6-7-25-32(30,31)22-14-19-18(13-17(22)2)23-20(26-19)15-24(3,4)16-21(23)29/h13-14,25-26H,5-12,15-16H2,1-4H3.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 460.64 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20945852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).