6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane

C25H40ClN5O5S2 — CID 142883678

IUPAC6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane
SMILESCC.CCCCCC.Cc1ccc(CNC2=NS(=O)N=C2CNc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)o1
InChIInChI=1S/C17H20ClN5O5S2.C6H14.C2H6/c1-10-4-5-11(28-10)8-20-17-14(21-29(25)22-17)9-19-13-7-6-12(18)16(15(13)24)30(26,27)23(2)3;1-3-5-6-4-2;1-2/h4-7,19,24H,8-9H2,1-3H3,(H,20,22);3-6H2,1-2H3;1-2H3
InChIKeyYBWSXEUMALYNHZ-UHFFFAOYSA-N
MW590.21 g/mol
LogP5.44
Rot. Bonds10

About 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane

6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane (PubChem CID 142883678) has the molecular formula C25H40ClN5O5S2 and a molecular weight of 590.21 g/mol. Its IUPAC name is 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane.

Molecular Properties

Compound Name6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane
PubChem CID142883678
Molecular FormulaC25H40ClN5O5S2
Molecular Weight590.21 g/mol
Exact Mass589.22
IUPAC Name6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane
SMILESCC.CCCCCC.Cc1ccc(CNC2=NS(=O)N=C2CNc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)o1
InChIInChI=1S/C17H20ClN5O5S2.C6H14.C2H6/c1-10-4-5-11(28-10)8-20-17-14(21-29(25)22-17)9-19-13-7-6-12(18)16(15(13)24)30(26,27)23(2)3;1-3-5-6-4-2;1-2/h4-7,19,24H,8-9H2,1-3H3,(H,20,22);3-6H2,1-2H3;1-2H3
InChIKeyYBWSXEUMALYNHZ-UHFFFAOYSA-N
XLogP5.44
TPSA136.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.21
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane?
The IUPAC name of 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane (CID 142883678) is 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane.
What is the SMILES notation for 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane?
The canonical SMILES for 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane is CC.CCCCCC.Cc1ccc(CNC2=NS(=O)N=C2CNc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)o1.
What is the InChIKey of 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane?
The InChIKey is YBWSXEUMALYNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O5S2.C6H14.C2H6/c1-10-4-5-11(28-10)8-20-17-14(21-29(25)22-17)9-19-13-7-6-12(18)16(15(13)24)30(26,27)23(2)3;1-3-5-6-4-2;1-2/h4-7,19,24H,8-9H2,1-3H3,(H,20,22);3-6H2,1-2H3;1-2H3.
What are the key properties of 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane?
6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane has a molecular weight of 590.21 g/mol, XLogP of 5.44, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]benzenesulfonamide;ethane;hexane is sourced from PubChem (CID 142883678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).