1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide

C20H18N2O3S — CID 1094909

IUPAC1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)NCCc4ccccc4)ccc1c23
InChIInChI=1S/C20H18N2O3S/c1-22-17-10-11-18(15-8-5-9-16(19(15)17)20(22)23)26(24,25)21-13-12-14-6-3-2-4-7-14/h2-11,21H,12-13H2,1H3
InChIKeyGRHVTUHAGLXFGL-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.95
Rot. Bonds5

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

1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide (PubChem CID 1094909) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide
PubChem CID1094909
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)NCCc4ccccc4)ccc1c23
InChIInChI=1S/C20H18N2O3S/c1-22-17-10-11-18(15-8-5-9-16(19(15)17)20(22)23)26(24,25)21-13-12-14-6-3-2-4-7-14/h2-11,21H,12-13H2,1H3
InChIKeyGRHVTUHAGLXFGL-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)benzenesulfonamide
CID 6611008
N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
CID 11270007
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-Cycloheptyl-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 105539837
2-Chloro-N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)-4-Fluorobenzenesulfonamide
CID 105539840
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)butane-1-Sulfonamide
CID 105539842
2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide
CID 10006907
4-(4-Benzoylamino-naphthalene-1-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester
CID 10367938
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
4-[4-(2-Methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid methylamide
CID 11754900
2-{3-[4-(4-Fluorobenzoyl)piperidino]propyl}naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580035

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide (CID 1094909) is 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide is CN1C(=O)c2cccc3c(S(=O)(=O)NCCc4ccccc4)ccc1c23.
What is the InChIKey of 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide?
The InChIKey is GRHVTUHAGLXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-22-17-10-11-18(15-8-5-9-16(19(15)17)20(22)23)26(24,25)21-13-12-14-6-3-2-4-7-14/h2-11,21H,12-13H2,1H3.
What are the key properties of 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide?
1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2-phenylethyl)benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1094909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).