4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide

C19H19N5O6S2 — CID 167892206

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H19N5O6S2/c1-14-13-19(23(20-14)16-3-5-17(6-4-16)24(25)26)21-32(29,30)18-9-7-15(8-10-18)22-11-2-12-31(22,27)28/h3-10,13,21H,2,11-12H2,1H3
InChIKeyRUIPWFMMSMKZIY-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.43
Rot. Bonds6

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 167892206) has the molecular formula C19H19N5O6S2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID167892206
Molecular FormulaC19H19N5O6S2
Molecular Weight477.52 g/mol
Exact Mass477.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H19N5O6S2/c1-14-13-19(23(20-14)16-3-5-17(6-4-16)24(25)26)21-32(29,30)18-9-7-15(8-10-18)22-11-2-12-31(22,27)28/h3-10,13,21H,2,11-12H2,1H3
InChIKeyRUIPWFMMSMKZIY-UHFFFAOYSA-N
XLogP2.43
TPSA144.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyanomethyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
CID 139004027
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55520312
3-(azepan-1-ylsulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55507070
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 43955516
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55507743
1-(benzenesulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 55668421
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 7483062
(E)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 55537906
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567376
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
3,5-dimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520402
5-ethenyl-3-methyl-1-(4-nitrophenyl)pyrazole
CID 15439117

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide (CID 167892206) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is RUIPWFMMSMKZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O6S2/c1-14-13-19(23(20-14)16-3-5-17(6-4-16)24(25)26)21-32(29,30)18-9-7-15(8-10-18)22-11-2-12-31(22,27)28/h3-10,13,21H,2,11-12H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 477.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 167892206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).