N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide

C25H23N5O5S2 — CID 86578682

IUPACN-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c3c2-c2ccccc2S(=O)(=O)N3C)c1
InChIInChI=1S/C25H23N5O5S2/c1-16-7-6-8-19(15-16)30-23-20-9-4-5-10-21(20)37(34,35)29(2)24(23)22(27-30)25(31)26-17-11-13-18(14-12-17)28-36(3,32)33/h4-15,28H,1-3H3,(H,26,31)
InChIKeySWRQEPXREQZVIR-UHFFFAOYSA-N
MW537.62 g/mol
LogP3.61
Rot. Bonds5

About N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide

N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide (PubChem CID 86578682) has the molecular formula C25H23N5O5S2 and a molecular weight of 537.62 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
PubChem CID86578682
Molecular FormulaC25H23N5O5S2
Molecular Weight537.62 g/mol
Exact Mass537.11
IUPAC NameN-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c3c2-c2ccccc2S(=O)(=O)N3C)c1
InChIInChI=1S/C25H23N5O5S2/c1-16-7-6-8-19(15-16)30-23-20-9-4-5-10-21(20)37(34,35)29(2)24(23)22(27-30)25(31)26-17-11-13-18(14-12-17)28-36(3,32)33/h4-15,28H,1-3H3,(H,26,31)
InChIKeySWRQEPXREQZVIR-UHFFFAOYSA-N
XLogP3.61
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide 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 N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide (CID 86578682) is N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c3c2-c2ccccc2S(=O)(=O)N3C)c1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
The InChIKey is SWRQEPXREQZVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5S2/c1-16-7-6-8-19(15-16)30-23-20-9-4-5-10-21(20)37(34,35)29(2)24(23)22(27-30)25(31)26-17-11-13-18(14-12-17)28-36(3,32)33/h4-15,28H,1-3H3,(H,26,31).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide has a molecular weight of 537.62 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-4-methyl-1-(3-methylphenyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide is sourced from PubChem (CID 86578682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).