N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide

C15H19N5O7S3 — CID 24621064

IUPACN-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N5O7S3/c1-10-14(28-15(21)17-10)30(26,27)19-7-5-18(6-8-19)12-4-3-11(29(24,25)16-2)9-13(12)20(22)23/h3-4,9,16H,5-8H2,1-2H3,(H,17,21)
InChIKeyXOEFJMDQHLTYHL-UHFFFAOYSA-N
MW477.55 g/mol
LogP0.07
Rot. Bonds6

About N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide

N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide (PubChem CID 24621064) has the molecular formula C15H19N5O7S3 and a molecular weight of 477.55 g/mol. Its IUPAC name is N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide
PubChem CID24621064
Molecular FormulaC15H19N5O7S3
Molecular Weight477.55 g/mol
Exact Mass477.04
IUPAC NameN-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N5O7S3/c1-10-14(28-15(21)17-10)30(26,27)19-7-5-18(6-8-19)12-4-3-11(29(24,25)16-2)9-13(12)20(22)23/h3-4,9,16H,5-8H2,1-2H3,(H,17,21)
InChIKeyXOEFJMDQHLTYHL-UHFFFAOYSA-N
XLogP0.07
TPSA162.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide 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

4-(4-acetylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9279383
4-methyl-5-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16962575
4-methyl-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16962586
4-(4-fluoropiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 67992994
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzenesulfonamide
CID 9283312
1-(4-methylphenyl)sulfonyl-4-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 18267203
4-(4-benzylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9187044
N-methyl-3-nitro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 55447351
1-methylsulfonyl-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1,4-diazepane
CID 24632022
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
1-[4-(methylsulfamoyl)-2-nitrophenyl]pyrrolidine-3-carboxylic acid
CID 120964052
1-(4-fluorophenyl)sulfonyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 2981141

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide (CID 24621064) is N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide?
The InChIKey is XOEFJMDQHLTYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O7S3/c1-10-14(28-15(21)17-10)30(26,27)19-7-5-18(6-8-19)12-4-3-11(29(24,25)16-2)9-13(12)20(22)23/h3-4,9,16H,5-8H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide?
N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide has a molecular weight of 477.55 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 24621064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).