4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

C19H26N4O3S — CID 113025908

IUPAC4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1C
InChIInChI=1S/C19H26N4O3S/c1-14-12-18(15(2)11-17(14)26-4)27(24,25)21-19-6-5-16(13-20-19)23-9-7-22(3)8-10-23/h5-6,11-13H,7-10H2,1-4H3,(H,20,21)
InChIKeyGYKHWGHODQWAKB-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.26
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 113025908) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID113025908
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1C
InChIInChI=1S/C19H26N4O3S/c1-14-12-18(15(2)11-17(14)26-4)27(24,25)21-19-6-5-16(13-20-19)23-9-7-22(3)8-10-23/h5-6,11-13H,7-10H2,1-4H3,(H,20,21)
InChIKeyGYKHWGHODQWAKB-UHFFFAOYSA-N
XLogP2.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (CID 113025908) is 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is GYKHWGHODQWAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-12-18(15(2)11-17(14)26-4)27(24,25)21-19-6-5-16(13-20-19)23-9-7-22(3)8-10-23/h5-6,11-13H,7-10H2,1-4H3,(H,20,21).
What are the key properties of 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113025908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).