2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide

C21H21N5O8S2 — CID 22506600

IUPAC2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C21H21N5O8S2/c27-25(28)18-8-1-3-10-20(18)35(31,32)22-14-12-16-6-5-7-17(24-16)13-15-23-36(33,34)21-11-4-2-9-19(21)26(29)30/h1-11,22-23H,12-15H2
InChIKeyDSFKLIAHGKYZRJ-UHFFFAOYSA-N
MW535.56 g/mol
LogP1.94
Rot. Bonds12

About 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide

2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide (PubChem CID 22506600) has the molecular formula C21H21N5O8S2 and a molecular weight of 535.56 g/mol. Its IUPAC name is 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide
PubChem CID22506600
Molecular FormulaC21H21N5O8S2
Molecular Weight535.56 g/mol
Exact Mass535.08
IUPAC Name2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C21H21N5O8S2/c27-25(28)18-8-1-3-10-20(18)35(31,32)22-14-12-16-6-5-7-17(24-16)13-15-23-36(33,34)21-11-4-2-9-19(21)26(29)30/h1-11,22-23H,12-15H2
InChIKeyDSFKLIAHGKYZRJ-UHFFFAOYSA-N
XLogP1.94
TPSA191.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.56
LogP ≤ 51.94
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'}

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Related Compounds

2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
2-bromo-N-[6-[6-[[(2-nitrophenyl)sulfonylamino]methyl]-2-pyridinyl]hexyl]acetamide
CID 11038546
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
N-[2-(cyclohexen-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 805384
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
N-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 51330572
N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide
CID 26543227
N-(2-aminoethyl)-2-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119960164

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide (CID 22506600) is 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide?
The InChIKey is DSFKLIAHGKYZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O8S2/c27-25(28)18-8-1-3-10-20(18)35(31,32)22-14-12-16-6-5-7-17(24-16)13-15-23-36(33,34)21-11-4-2-9-19(21)26(29)30/h1-11,22-23H,12-15H2.
What are the key properties of 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide?
2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide has a molecular weight of 535.56 g/mol, XLogP of 1.94, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 22506600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).