2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide

C17H11Cl2N3O4S2 — CID 3685529

IUPAC2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccnc1Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N3O4S2/c18-11-7-8-16(12(19)10-11)28(25,26)21-13-4-1-2-6-15(13)27-17-14(22(23)24)5-3-9-20-17/h1-10,21H
InChIKeyQKOJFLGMDDOMLK-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.25
Rot. Bonds6

About 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide

2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide (PubChem CID 3685529) has the molecular formula C17H11Cl2N3O4S2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide
PubChem CID3685529
Molecular FormulaC17H11Cl2N3O4S2
Molecular Weight456.33 g/mol
Exact Mass454.96
IUPAC Name2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccnc1Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N3O4S2/c18-11-7-8-16(12(19)10-11)28(25,26)21-13-4-1-2-6-15(13)27-17-14(22(23)24)5-3-9-20-17/h1-10,21H
InChIKeyQKOJFLGMDDOMLK-UHFFFAOYSA-N
XLogP5.25
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
CID 9337532
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 60639935
2-bromo-N-(5-chloro-2-nitrophenyl)benzenesulfonamide
CID 60640749
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203686
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride
CID 134119435
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 3810826

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide (CID 3685529) is 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide is O=[N+]([O-])c1cccnc1Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
The InChIKey is QKOJFLGMDDOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O4S2/c18-11-7-8-16(12(19)10-11)28(25,26)21-13-4-1-2-6-15(13)27-17-14(22(23)24)5-3-9-20-17/h1-10,21H.
What are the key properties of 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide has a molecular weight of 456.33 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 3685529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).