3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide

C15H20N4O2S — CID 167919676

IUPAC3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide
SMILESCCCc1nccnc1NS(=O)(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H20N4O2S/c1-4-6-14-15(17-10-9-16-14)18-22(20,21)13-8-5-7-12(11-13)19(2)3/h5,7-11H,4,6H2,1-3H3,(H,17,18)
InChIKeyBSPGIXVHPHKCNU-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.30
Rot. Bonds6

About 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide

3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide (PubChem CID 167919676) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide
PubChem CID167919676
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide
SMILESCCCc1nccnc1NS(=O)(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H20N4O2S/c1-4-6-14-15(17-10-9-16-14)18-22(20,21)13-8-5-7-12(11-13)19(2)3/h5,7-11H,4,6H2,1-3H3,(H,17,18)
InChIKeyBSPGIXVHPHKCNU-UHFFFAOYSA-N
XLogP2.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 3-(dimethylamino)benzenesulfonate
CID 175275570
3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990181
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 115375852
N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 91962367
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 126819592
2-(methylamino)-N-(2-propylphenyl)pyridine-4-sulfonamide
CID 62157255
3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 61217643
N,N-dimethyl-2-propylpyridin-4-amine
CID 154100065

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide (CID 167919676) is 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide is CCCc1nccnc1NS(=O)(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is BSPGIXVHPHKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-6-14-15(17-10-9-16-14)18-22(20,21)13-8-5-7-12(11-13)19(2)3/h5,7-11H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide?
3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-propylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 167919676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).