2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide

C19H20N4O4S — CID 58899100

IUPAC2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(CNc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c(CO)c1O
InChIInChI=1S/C19H20N4O4S/c1-12-19(25)16(11-24)14(9-21-12)10-23-18-7-6-13(8-22-18)15-4-2-3-5-17(15)28(20,26)27/h2-9,24-25H,10-11H2,1H3,(H,22,23)(H2,20,26,27)
InChIKeyNEHIOLAGSUSRQF-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.91
Rot. Bonds6

About 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide

2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide (PubChem CID 58899100) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide
PubChem CID58899100
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(CNc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c(CO)c1O
InChIInChI=1S/C19H20N4O4S/c1-12-19(25)16(11-24)14(9-21-12)10-23-18-7-6-13(8-22-18)15-4-2-3-5-17(15)28(20,26)27/h2-9,24-25H,10-11H2,1H3,(H,22,23)(H2,20,26,27)
InChIKeyNEHIOLAGSUSRQF-UHFFFAOYSA-N
XLogP1.91
TPSA138.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide (CID 58899100) is 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide is Cc1ncc(CNc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c(CO)c1O.
What is the InChIKey of 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is NEHIOLAGSUSRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-19(25)16(11-24)14(9-21-12)10-23-18-7-6-13(8-22-18)15-4-2-3-5-17(15)28(20,26)27/h2-9,24-25H,10-11H2,1H3,(H,22,23)(H2,20,26,27).
What are the key properties of 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide?
2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 58899100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).