ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid

C19H23N3O4S — CID 90727760

IUPACethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
SMILESCC.CC.O=C(O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C15H11N3O4S.2C2H6/c19-15(20)10-4-1-2-5-11(10)18-23(21,22)13-7-3-6-12-14(13)17-9-8-16-12;2*1-2/h1-9,18H,(H,19,20);2*1-2H3
InChIKeyFUCAFGGABGGXRK-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.18
Rot. Bonds4

About ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid

ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid (PubChem CID 90727760) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Nameethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
PubChem CID90727760
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Nameethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
SMILESCC.CC.O=C(O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C15H11N3O4S.2C2H6/c19-15(20)10-4-1-2-5-11(10)18-23(21,22)13-7-3-6-12-14(13)17-9-8-16-12;2*1-2/h1-9,18H,(H,19,20);2*1-2H3
InChIKeyFUCAFGGABGGXRK-UHFFFAOYSA-N
XLogP4.18
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67013162
CID 91495824
CID 91495824
4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 141141160
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67013095
methyl 2-(quinoxalin-5-ylsulfonylamino)-4-(trifluoromethyl)benzoate
CID 67200346
N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide
CID 11752167
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
N-[2-(azepane-1-carbonyl)-5-iodophenyl]quinoxaline-5-sulfonamide
CID 11444027
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11192016

Frequently Asked Questions

What is the IUPAC name of ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid?
The IUPAC name of ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid (CID 90727760) is ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid.
What is the SMILES notation for ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid?
The canonical SMILES for ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid is CC.CC.O=C(O)c1ccccc1NS(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid?
The InChIKey is FUCAFGGABGGXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S.2C2H6/c19-15(20)10-4-1-2-5-11(10)18-23(21,22)13-7-3-6-12-14(13)17-9-8-16-12;2*1-2/h1-9,18H,(H,19,20);2*1-2H3.
What are the key properties of ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid?
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid has a molecular weight of 389.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 90727760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).