N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide

C18H14N4O8S2 — CID 142740286

IUPACN-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O8S2/c23-21(24)17-11-15(19-31(27,28)13-7-3-1-4-8-13)16(12-18(17)22(25)26)20-32(29,30)14-9-5-2-6-10-14/h1-12,19-20H
InChIKeyBFAMCXXOZPSNQP-UHFFFAOYSA-N
MW478.46 g/mol
LogP3.10
Rot. Bonds8

About N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide

N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide (PubChem CID 142740286) has the molecular formula C18H14N4O8S2 and a molecular weight of 478.46 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
PubChem CID142740286
Molecular FormulaC18H14N4O8S2
Molecular Weight478.46 g/mol
Exact Mass478.03
IUPAC NameN-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O8S2/c23-21(24)17-11-15(19-31(27,28)13-7-3-1-4-8-13)16(12-18(17)22(25)26)20-32(29,30)14-9-5-2-6-10-14/h1-12,19-20H
InChIKeyBFAMCXXOZPSNQP-UHFFFAOYSA-N
XLogP3.10
TPSA178.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
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

N-(4-amino-2-chloro-5-nitrophenyl)benzenesulfonamide
CID 18413394
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-nitrophenyl)urea
CID 21184794
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
1-[2-(benzenesulfonamido)-4-nitrophenyl]-3-phenylurea
CID 158579862
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide
CID 122158378
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 3768669
N-(4-amino-2-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 18413392
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide (CID 142740286) is N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide?
The InChIKey is BFAMCXXOZPSNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O8S2/c23-21(24)17-11-15(19-31(27,28)13-7-3-1-4-8-13)16(12-18(17)22(25)26)20-32(29,30)14-9-5-2-6-10-14/h1-12,19-20H.
What are the key properties of N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide?
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide has a molecular weight of 478.46 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide is sourced from PubChem (CID 142740286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).