3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide

C20H22N4O4S2 — CID 13203487

IUPAC3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2nccnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C20H22N4O4S2/c1-23(2)29(25,26)17-9-5-7-15(13-17)19-20(22-12-11-21-19)16-8-6-10-18(14-16)30(27,28)24(3)4/h5-14H,1-4H3
InChIKeySRUVEGKVPBRYTE-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.31
Rot. Bonds6

About 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide

3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 13203487) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID13203487
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2nccnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C20H22N4O4S2/c1-23(2)29(25,26)17-9-5-7-15(13-17)19-20(22-12-11-21-19)16-8-6-10-18(14-16)30(27,28)24(3)4/h5-14H,1-4H3
InChIKeySRUVEGKVPBRYTE-UHFFFAOYSA-N
XLogP2.31
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
CID 53224585
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide
CID 167119396
3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide
CID 171471467
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
CID 71291795
CID 71291795
2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 25167913
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
N,N-dimethylbenzo[e]azulene-5-sulfonamide
CID 67468891
3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 68917549

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide (CID 13203487) is 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2nccnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is SRUVEGKVPBRYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-23(2)29(25,26)17-9-5-7-15(13-17)19-20(22-12-11-21-19)16-8-6-10-18(14-16)30(27,28)24(3)4/h5-14H,1-4H3.
What are the key properties of 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide?
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 446.55 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 13203487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).