2-chloro-N,N-diethylquinoxaline-6-sulfonamide

C12H14ClN3O2S — CID 50743348

IUPAC2-chloro-N,N-diethylquinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(Cl)cnc2c1
InChIInChI=1S/C12H14ClN3O2S/c1-3-16(4-2)19(17,18)9-5-6-10-11(7-9)14-8-12(13)15-10/h5-8H,3-4H2,1-2H3
InChIKeyKPAVIYLWDJHRII-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.31
Rot. Bonds4

About 2-chloro-N,N-diethylquinoxaline-6-sulfonamide

2-chloro-N,N-diethylquinoxaline-6-sulfonamide (PubChem CID 50743348) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-chloro-N,N-diethylquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethylquinoxaline-6-sulfonamide
PubChem CID50743348
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name2-chloro-N,N-diethylquinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(Cl)cnc2c1
InChIInChI=1S/C12H14ClN3O2S/c1-3-16(4-2)19(17,18)9-5-6-10-11(7-9)14-8-12(13)15-10/h5-8H,3-4H2,1-2H3
InChIKeyKPAVIYLWDJHRII-UHFFFAOYSA-N
XLogP2.31
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
CID 43456823
2-(4-benzylpiperazin-1-yl)-N,N-diethylquinoxaline-6-sulfonamide
CID 50840522
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide
CID 50840577
2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
CID 39453360
N,N-diethylquinoline-7-sulfonamide
CID 143961440
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide
CID 50840508
2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide
CID 24845953
3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
2-[4-chloro-7-(diethylsulfamoyl)isoquinolin-1-yl]guanidine
CID 54344054
CID 174467940
CID 174467940
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethylquinoxaline-6-sulfonamide?
The IUPAC name of 2-chloro-N,N-diethylquinoxaline-6-sulfonamide (CID 50743348) is 2-chloro-N,N-diethylquinoxaline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethylquinoxaline-6-sulfonamide?
The canonical SMILES for 2-chloro-N,N-diethylquinoxaline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nc(Cl)cnc2c1.
What is the InChIKey of 2-chloro-N,N-diethylquinoxaline-6-sulfonamide?
The InChIKey is KPAVIYLWDJHRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-3-16(4-2)19(17,18)9-5-6-10-11(7-9)14-8-12(13)15-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethylquinoxaline-6-sulfonamide?
2-chloro-N,N-diethylquinoxaline-6-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylquinoxaline-6-sulfonamide is sourced from PubChem (CID 50743348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).