N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C19H20N2O3S — CID 1242012

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCCC3=CCCCC3)c3cccc1c23
InChIInChI=1S/C19H20N2O3S/c22-19-15-8-4-7-14-17(10-9-16(21-19)18(14)15)25(23,24)20-12-11-13-5-2-1-3-6-13/h4-5,7-10,20H,1-3,6,11-12H2,(H,21,22)
InChIKeyFAJNFVMYDGDHHY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 1242012) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID1242012
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCCC3=CCCCC3)c3cccc1c23
InChIInChI=1S/C19H20N2O3S/c22-19-15-8-4-7-14-17(10-9-16(21-19)18(14)15)25(23,24)20-12-11-13-5-2-1-3-6-13/h4-5,7-10,20H,1-3,6,11-12H2,(H,21,22)
InChIKeyFAJNFVMYDGDHHY-UHFFFAOYSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 126457199
[1,1-difluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]pentyl]phosphonic acid
CID 46888417
N-[2-(cyclohexen-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 805384
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide
CID 167420896
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-fluorobenzenesulfonamide
CID 116528282
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
CID 31481407
N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 1358127
N-[2-(cyclopenten-1-yl)ethyl]-3-fluoro-2-nitrobenzenesulfonamide
CID 103844648

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 1242012) is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCCC3=CCCCC3)c3cccc1c23.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is FAJNFVMYDGDHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19-15-8-4-7-14-17(10-9-16(21-19)18(14)15)25(23,24)20-12-11-13-5-2-1-3-6-13/h4-5,7-10,20H,1-3,6,11-12H2,(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1242012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).