N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

C19H22N2O3S — CID 1192817

IUPACN-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCC4)ccc1c23
InChIInChI=1S/C19H22N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3
InChIKeyJFSBLFHOLQSPDO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.43
Rot. Bonds4

About N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1192817) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1192817
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCC4)ccc1c23
InChIInChI=1S/C19H22N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3
InChIKeyJFSBLFHOLQSPDO-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 1192817) is N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCC4)ccc1c23.
What is the InChIKey of N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is JFSBLFHOLQSPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3.
What are the key properties of N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1192817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).