N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide

C19H17N3O3S — CID 2133620

IUPACN-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-22(12-10-13-5-2-3-11-20-13)26(24,25)17-9-8-16-18-14(17)6-4-7-15(18)19(23)21-16/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeyXJAFCMGMTBBHAW-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide

N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 2133620) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide
PubChem CID2133620
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-22(12-10-13-5-2-3-11-20-13)26(24,25)17-9-8-16-18-14(17)6-4-7-15(18)19(23)21-16/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeyXJAFCMGMTBBHAW-UHFFFAOYSA-N
XLogP2.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide (CID 2133620) is N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is XJAFCMGMTBBHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-22(12-10-13-5-2-3-11-20-13)26(24,25)17-9-8-16-18-14(17)6-4-7-15(18)19(23)21-16/h2-9,11H,10,12H2,1H3,(H,21,23).
What are the key properties of N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide?
N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(2-pyridin-2-ylethyl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 2133620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).