N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide

C19H22N2O4S — CID 7424828

IUPACN,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)C(C)C
InChIInChI=1S/C19H22N2O4S/c1-5-20(6-2)26(24,25)16-11-10-15-17-13(16)8-7-9-14(17)19(23)21(15)18(22)12(3)4/h7-12H,5-6H2,1-4H3
InChIKeyNESJMPCCYAMACM-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.01
Rot. Bonds5

About N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide

N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 7424828) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID7424828
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)C(C)C
InChIInChI=1S/C19H22N2O4S/c1-5-20(6-2)26(24,25)16-11-10-15-17-13(16)8-7-9-14(17)19(23)21(15)18(22)12(3)4/h7-12H,5-6H2,1-4H3
InChIKeyNESJMPCCYAMACM-UHFFFAOYSA-N
XLogP3.01
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide (CID 7424828) is N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)C(C)C.
What is the InChIKey of N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is NESJMPCCYAMACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-5-20(6-2)26(24,25)16-11-10-15-17-13(16)8-7-9-14(17)19(23)21(15)18(22)12(3)4/h7-12H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide?
N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 7424828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).