4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide

C20H27ClN6O2S2 — CID 143313174

IUPAC4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2cnc(N3CCSCC3)c(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H27ClN6O2S2/c1-24(2)31(28,29)27-9-7-25(8-10-27)18-15-22-20(26-11-13-30-14-12-26)19(23-18)16-3-5-17(21)6-4-16/h3-6,15H,7-14H2,1-2H3
InChIKeyUTDGXLCHRIPNFK-UHFFFAOYSA-N
MW483.06 g/mol
LogP2.28
Rot. Bonds5

About 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 143313174) has the molecular formula C20H27ClN6O2S2 and a molecular weight of 483.06 g/mol. Its IUPAC name is 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID143313174
Molecular FormulaC20H27ClN6O2S2
Molecular Weight483.06 g/mol
Exact Mass482.13
IUPAC Name4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2cnc(N3CCSCC3)c(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C20H27ClN6O2S2/c1-24(2)31(28,29)27-9-7-25(8-10-27)18-15-22-20(26-11-13-30-14-12-26)19(23-18)16-3-5-17(21)6-4-16/h3-6,15H,7-14H2,1-2H3
InChIKeyUTDGXLCHRIPNFK-UHFFFAOYSA-N
XLogP2.28
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.06
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[3-(4-chlorophenyl)-5-[4-(dimethylaminosulfanyl)piperazin-1-yl]pyrazin-2-yl]phenyl]ethanone
CID 143313819
N,N-dimethylthiomorpholine-4-sulfonamide
CID 59786661
N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide
CID 110715643
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 107355689
N,N-dimethyl-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-sulfonamide
CID 71799944
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889
N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
CID 56916773
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 143313402
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N-(cyclopropylmethyl)-N-propylpiperidin-4-amine
CID 71200229

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 143313174) is 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2cnc(N3CCSCC3)c(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is UTDGXLCHRIPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN6O2S2/c1-24(2)31(28,29)27-9-7-25(8-10-27)18-15-22-20(26-11-13-30-14-12-26)19(23-18)16-3-5-17(21)6-4-16/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 483.06 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chlorophenyl)-5-thiomorpholin-4-ylpyrazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 143313174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).