1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide

C18H16N4O3S — CID 110672337

IUPAC1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc4nccnc4c3)ccc21
InChIInChI=1S/C18H16N4O3S/c1-22-17-5-3-14(9-13(17)10-18(22)23)26(24,25)21-11-12-2-4-15-16(8-12)20-7-6-19-15/h2-9,21H,10-11H2,1H3
InChIKeyMXZCYHQZCGHLAK-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.63
Rot. Bonds4

About 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide

1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide (PubChem CID 110672337) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
PubChem CID110672337
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc4nccnc4c3)ccc21
InChIInChI=1S/C18H16N4O3S/c1-22-17-5-3-14(9-13(17)10-18(22)23)26(24,25)21-11-12-2-4-15-16(8-12)20-7-6-19-15/h2-9,21H,10-11H2,1H3
InChIKeyMXZCYHQZCGHLAK-UHFFFAOYSA-N
XLogP1.63
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110739056
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383196
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512
1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 110722075
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide
CID 110292520
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide (CID 110672337) is 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc4nccnc4c3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide?
The InChIKey is MXZCYHQZCGHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-22-17-5-3-14(9-13(17)10-18(22)23)26(24,25)21-11-12-2-4-15-16(8-12)20-7-6-19-15/h2-9,21H,10-11H2,1H3.
What are the key properties of 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide has a molecular weight of 368.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide is sourced from PubChem (CID 110672337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).