4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine

C14H13Cl2N3O2S — CID 71859095

IUPAC4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cnccc21
InChIInChI=1S/C14H13Cl2N3O2S/c1-18-6-7-19(14-9-17-5-4-13(14)18)22(20,21)10-2-3-11(15)12(16)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyOMWYHBXWGZDTQF-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.03
Rot. Bonds2

About 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine

4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 71859095) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID71859095
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC Name4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cnccc21
InChIInChI=1S/C14H13Cl2N3O2S/c1-18-6-7-19(14-9-17-5-4-13(14)18)22(20,21)10-2-3-11(15)12(16)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyOMWYHBXWGZDTQF-UHFFFAOYSA-N
XLogP3.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-Trichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839390
2,3-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444711
4-Chloro-N-pyridin-4-yl-benzenesulfonamide
CID 674932
4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683
3,4-Dichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839468
4-[4-(3,4-Dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73346474
4-[4-(4-Chlorophenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 73352539
1-(3-Chlorophenyl)-4-{3-[(4-methyl-1-piperazinyl)sulfonyl]-4-pyridinyl}piperazine
CID 1214519
4-chloro-N-pyridin-3-ylbenzenesulfonamide
CID 835318
4H-Pyrido(4,3-e)-1,2,4-thiadiazine, 4-(3,4-dichlorophenyl)-3-ethyl-, 1,1-dioxide
CID 3043805
3-chloro-N-3-pyridinylbenzenesulfonamide
CID 890243

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine (CID 71859095) is 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine is CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cnccc21.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is OMWYHBXWGZDTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c1-18-6-7-19(14-9-17-5-4-13(14)18)22(20,21)10-2-3-11(15)12(16)8-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 358.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 71859095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).