2-anilino-5-nitrobenzenesulfonamide

C12H11N3O4S — CID 44586681

IUPAC2-anilino-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1
InChIInChI=1S/C12H11N3O4S/c13-20(18,19)12-8-10(15(16)17)6-7-11(12)14-9-4-2-1-3-5-9/h1-8,14H,(H2,13,18,19)
InChIKeyNIPYUKOCPJMJJP-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.99
Rot. Bonds4

About 2-anilino-5-nitrobenzenesulfonamide

2-anilino-5-nitrobenzenesulfonamide (PubChem CID 44586681) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-anilino-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-anilino-5-nitrobenzenesulfonamide
PubChem CID44586681
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-anilino-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1
InChIInChI=1S/C12H11N3O4S/c13-20(18,19)12-8-10(15(16)17)6-7-11(12)14-9-4-2-1-3-5-9/h1-8,14H,(H2,13,18,19)
InChIKeyNIPYUKOCPJMJJP-UHFFFAOYSA-N
XLogP1.99
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Sulfanitran
CID 5334
Disperse Yellow 42
CID 21201
C.I. Acid Orange 3
CID 5284435
Benzenesulfonic acid, 5-amino-2-((4-aminophenyl)amino)-
CID 67070
Benzenesulfonic acid, 5-amino-2-(phenylamino)-
CID 66671
2-(4-Aminoanilino)-5-nitrobenzenesulphonic acid
CID 3265240
Benzenesulfonamide, 3-nitro-4-(phenylamino)-
CID 82980
4'-Nitrobenzenesulfonanilide
CID 231837
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 459019
Benzenesulfonamide, 2-amino-N-ethyl-5-nitro-N-phenyl-
CID 67001
3-Nitrobenzenesulfonanilide
CID 120051
4-(p-Aminoanilino)-3-nitrobenzenesulphonic acid
CID 5464135

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-nitrobenzenesulfonamide?
The IUPAC name of 2-anilino-5-nitrobenzenesulfonamide (CID 44586681) is 2-anilino-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-anilino-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-anilino-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-5-nitrobenzenesulfonamide?
The InChIKey is NIPYUKOCPJMJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c13-20(18,19)12-8-10(15(16)17)6-7-11(12)14-9-4-2-1-3-5-9/h1-8,14H,(H2,13,18,19).
What are the key properties of 2-anilino-5-nitrobenzenesulfonamide?
2-anilino-5-nitrobenzenesulfonamide has a molecular weight of 293.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-nitrobenzenesulfonamide is sourced from PubChem (CID 44586681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).