2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide

C15H9Cl2N3O6S3 — CID 5157232

IUPAC2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NS(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C15H9Cl2N3O6S3/c16-9-1-6-12(17)13(7-9)29(25,26)19-15-18-8-14(27-15)28(23,24)11-4-2-10(3-5-11)20(21)22/h1-8H,(H,18,19)
InChIKeyJDWCVIKYJCNASO-UHFFFAOYSA-N
MW494.36 g/mol
LogP3.99
Rot. Bonds6

About 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide

2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 5157232) has the molecular formula C15H9Cl2N3O6S3 and a molecular weight of 494.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID5157232
Molecular FormulaC15H9Cl2N3O6S3
Molecular Weight494.36 g/mol
Exact Mass492.90
IUPAC Name2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NS(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C15H9Cl2N3O6S3/c16-9-1-6-12(17)13(7-9)29(25,26)19-15-18-8-14(27-15)28(23,24)11-4-2-10(3-5-11)20(21)22/h1-8H,(H,18,19)
InChIKeyJDWCVIKYJCNASO-UHFFFAOYSA-N
XLogP3.99
TPSA136.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 53.99
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

2,5-dimethyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 25331203
4-chloro-2-nitro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
CID 5167159
2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
CID 3288705
2-(4-chlorophenyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 2202172
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868
2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide
CID 3542122
2-(4-chlorophenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 3268294
2,5-dichloro-N-[4-(4-nitrophenyl)sulfanylphenyl]benzenesulfonamide
CID 3728349
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
CID 20795960
2,5-dimethyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
CID 2486533
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide (CID 5157232) is 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NS(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1.
What is the InChIKey of 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is JDWCVIKYJCNASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O6S3/c16-9-1-6-12(17)13(7-9)29(25,26)19-15-18-8-14(27-15)28(23,24)11-4-2-10(3-5-11)20(21)22/h1-8H,(H,18,19).
What are the key properties of 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide?
2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 494.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 5157232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).