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

C24H20ClN5O5S2 — CID 86578577

IUPAC1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
SMILESCN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccccc3Cl)c2-c2ccccc2S1(=O)=O
InChIInChI=1S/C24H20ClN5O5S2/c1-29-23-21(24(31)26-15-11-13-16(14-12-15)28-36(2,32)33)27-30(19-9-5-4-8-18(19)25)22(23)17-7-3-6-10-20(17)37(29,34)35/h3-14,28H,1-2H3,(H,26,31)
InChIKeyOVPBWNKWNQVZGA-UHFFFAOYSA-N
MW558.04 g/mol
LogP3.95
Rot. Bonds5

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

1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide (PubChem CID 86578577) has the molecular formula C24H20ClN5O5S2 and a molecular weight of 558.04 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
PubChem CID86578577
Molecular FormulaC24H20ClN5O5S2
Molecular Weight558.04 g/mol
Exact Mass557.06
IUPAC Name1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
SMILESCN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccccc3Cl)c2-c2ccccc2S1(=O)=O
InChIInChI=1S/C24H20ClN5O5S2/c1-29-23-21(24(31)26-15-11-13-16(14-12-15)28-36(2,32)33)27-30(19-9-5-4-8-18(19)25)22(23)17-7-3-6-10-20(17)37(29,34)35/h3-14,28H,1-2H3,(H,26,31)
InChIKeyOVPBWNKWNQVZGA-UHFFFAOYSA-N
XLogP3.95
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.04
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-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

Related Compounds

CID 127027989
CID 127027989
CID 71600240
CID 71600240
CID 71600241
CID 71600241
CID 71600242
CID 71600242
CID 71600391
CID 71600391
CID 71716955
CID 71716955
CID 86578425
CID 86578425
CID 86578575
CID 86578575
CID 86578576
CID 86578576
CID 86578578
CID 86578578
CID 86578630
CID 86578630
CID 86578682
CID 86578682

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide (CID 86578577) is 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide is CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccccc3Cl)c2-c2ccccc2S1(=O)=O.
What is the InChIKey of 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
The InChIKey is OVPBWNKWNQVZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O5S2/c1-29-23-21(24(31)26-15-11-13-16(14-12-15)28-36(2,32)33)27-30(19-9-5-4-8-18(19)25)22(23)17-7-3-6-10-20(17)37(29,34)35/h3-14,28H,1-2H3,(H,26,31).
What are the key properties of 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide?
1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide has a molecular weight of 558.04 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide is sourced from PubChem (CID 86578577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).