N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide

C15H9Cl2N3O4S2 — CID 19203686

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C15H9Cl2N3O4S2/c16-9-5-6-10(11(17)7-9)12-8-25-15(18-12)19-26(23,24)14-4-2-1-3-13(14)20(21)22/h1-8H,(H,18,19)
InChIKeyPEIXCIGAZOLTBE-UHFFFAOYSA-N
MW430.29 g/mol
LogP4.83
Rot. Bonds5

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide (PubChem CID 19203686) has the molecular formula C15H9Cl2N3O4S2 and a molecular weight of 430.29 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
PubChem CID19203686
Molecular FormulaC15H9Cl2N3O4S2
Molecular Weight430.29 g/mol
Exact Mass428.94
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C15H9Cl2N3O4S2/c16-9-5-6-10(11(17)7-9)12-8-25-15(18-12)19-26(23,24)14-4-2-1-3-13(14)20(21)22/h1-8H,(H,18,19)
InChIKeyPEIXCIGAZOLTBE-UHFFFAOYSA-N
XLogP4.83
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203710
N-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 13219372
4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 1340336
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
CID 3748114
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 7941095
N-[4-(2-chloro-5-nitrophenyl)-1,3-thiazol-2-yl]-4-phenylbenzenesulfonamide
CID 10298989
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
CID 135777358
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553
(E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile
CID 5335424

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide (CID 19203686) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide?
The InChIKey is PEIXCIGAZOLTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O4S2/c16-9-5-6-10(11(17)7-9)12-8-25-15(18-12)19-26(23,24)14-4-2-1-3-13(14)20(21)22/h1-8H,(H,18,19).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide has a molecular weight of 430.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 19203686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).