N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide

C24H29N7O6S2 — CID 135410997

IUPACN-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide
SMILESCC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)N4CCNCC4)ccc3N2)c(O)c2cccnc21
InChIInChI=1S/C24H29N7O6S2/c1-15(2)7-11-31-23-17(4-3-8-26-23)21(32)20(24(31)33)22-27-18-6-5-16(14-19(18)38(34,35)29-22)28-39(36,37)30-12-9-25-10-13-30/h3-6,8,14-15,25,28,32H,7,9-13H2,1-2H3,(H,27,29)
InChIKeyRCIVBTBWUQQZEI-UHFFFAOYSA-N
MW575.67 g/mol
LogP1.27
Rot. Bonds7

About N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide

N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide (PubChem CID 135410997) has the molecular formula C24H29N7O6S2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide
PubChem CID135410997
Molecular FormulaC24H29N7O6S2
Molecular Weight575.67 g/mol
Exact Mass575.16
IUPAC NameN-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide
SMILESCC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)N4CCNCC4)ccc3N2)c(O)c2cccnc21
InChIInChI=1S/C24H29N7O6S2/c1-15(2)7-11-31-23-17(4-3-8-26-23)21(32)20(24(31)33)22-27-18-6-5-16(14-19(18)38(34,35)29-22)28-39(36,37)30-12-9-25-10-13-30/h3-6,8,14-15,25,28,32H,7,9-13H2,1-2H3,(H,27,29)
InChIKeyRCIVBTBWUQQZEI-UHFFFAOYSA-N
XLogP1.27
TPSA175.09 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.67
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid
CID 135410976
3-chloro-N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]thiophene-2-sulfonamide
CID 174487457
prop-2-ynyl N-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]sulfamoyl]carbamate
CID 135410967
3-(1,1-dioxo-7-propyl-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-1,8-naphthyridin-2-one
CID 174487454
3-[1,1-dioxo-7-(2-pyrrolidin-2-ylethoxy)-4H-1λ6,2,4-benzothiadiazin-3-yl]-4-hydroxy-1-(3-methylbutyl)-1,8-naphthyridin-2-one
CID 135514643
3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-7-[propyl(sulfinato)amino]-4H-1λ6,2,4-benzothiadiazine
CID 174487552
methyl 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxoquinolin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetate
CID 135532914
N-[3-[6-tert-butyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide
CID 135907846
N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]propane-2-sulfonamide
CID 135907975
1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one
CID 135517454
N-[3-[2-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
CID 135927858
N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)pyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
CID 135907885

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide?
The IUPAC name of N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide (CID 135410997) is N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide?
The canonical SMILES for N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide is CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)N4CCNCC4)ccc3N2)c(O)c2cccnc21.
What is the InChIKey of N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide?
The InChIKey is RCIVBTBWUQQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O6S2/c1-15(2)7-11-31-23-17(4-3-8-26-23)21(32)20(24(31)33)22-27-18-6-5-16(14-19(18)38(34,35)29-22)28-39(36,37)30-12-9-25-10-13-30/h3-6,8,14-15,25,28,32H,7,9-13H2,1-2H3,(H,27,29).
What are the key properties of N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide?
N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide has a molecular weight of 575.67 g/mol, XLogP of 1.27, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide is sourced from PubChem (CID 135410997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).