4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide

C20H23N3O4S2 — CID 14639319

IUPAC4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=C(N3CCCC3)N(C)S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O4S2/c1-15-9-11-16(12-10-15)28(24,25)21-19-17-7-3-4-8-18(17)29(26,27)22(2)20(19)23-13-5-6-14-23/h3-4,7-12,21H,5-6,13-14H2,1-2H3
InChIKeyPQSZVWYNWHZNSC-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.33
Rot. Bonds4

About 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide

4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide (PubChem CID 14639319) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide
PubChem CID14639319
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=C(N3CCCC3)N(C)S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O4S2/c1-15-9-11-16(12-10-15)28(24,25)21-19-17-7-3-4-8-18(17)29(26,27)22(2)20(19)23-13-5-6-14-23/h3-4,7-12,21H,5-6,13-14H2,1-2H3
InChIKeyPQSZVWYNWHZNSC-UHFFFAOYSA-N
XLogP2.33
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,5-dioxo-6H-benzo[c][1,2]benzothiazin-9-yl)-4-methylbenzenesulfonamide
CID 618695
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 3594745
N-(3-amino-1,4-dioxonaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 10382740
N-(4-methylphenyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037207
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane
CID 143971562
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169372003
N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methyl-2-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 57147961
2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100512380
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide (CID 14639319) is 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=C(N3CCCC3)N(C)S(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide?
The InChIKey is PQSZVWYNWHZNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-15-9-11-16(12-10-15)28(24,25)21-19-17-7-3-4-8-18(17)29(26,27)22(2)20(19)23-13-5-6-14-23/h3-4,7-12,21H,5-6,13-14H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide?
4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide has a molecular weight of 433.56 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1,1-dioxo-3-pyrrolidin-1-yl-1λ6,2-benzothiazin-4-yl)benzenesulfonamide is sourced from PubChem (CID 14639319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).