2-(2-nitroanilino)ethanesulfonamide

C8H11N3O4S — CID 43552409

IUPAC2-(2-nitroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O4S/c9-16(14,15)6-5-10-7-3-1-2-4-8(7)11(12)13/h1-4,10H,5-6H2,(H2,9,14,15)
InChIKeySLMDSOUXKOUHJI-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.30
Rot. Bonds5

About 2-(2-nitroanilino)ethanesulfonamide

2-(2-nitroanilino)ethanesulfonamide (PubChem CID 43552409) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(2-nitroanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-nitroanilino)ethanesulfonamide
PubChem CID43552409
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-(2-nitroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O4S/c9-16(14,15)6-5-10-7-3-1-2-4-8(7)11(12)13/h1-4,10H,5-6H2,(H2,9,14,15)
InChIKeySLMDSOUXKOUHJI-UHFFFAOYSA-N
XLogP0.30
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.30
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

2-(4-bromo-2-nitroanilino)ethanesulfonamide
CID 43552407
2-(5-bromo-2-nitroanilino)ethanesulfonamide
CID 65341959
2-(4-iodo-2-nitroanilino)ethanesulfonamide
CID 66066455
2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonamide
CID 43552379
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
2-[3-(methylamino)-2-nitroanilino]ethanesulfonamide
CID 80788563
2-(2-nitroanilino)ethylazanium iodide
CID 158180928
2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
CID 19710464
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
trimethyl-[2-(2-nitroanilino)ethyl]azanium
CID 18993728
N-(2-methylsulfanylethyl)-2-nitroaniline
CID 57436053

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroanilino)ethanesulfonamide?
The IUPAC name of 2-(2-nitroanilino)ethanesulfonamide (CID 43552409) is 2-(2-nitroanilino)ethanesulfonamide.
What is the SMILES notation for 2-(2-nitroanilino)ethanesulfonamide?
The canonical SMILES for 2-(2-nitroanilino)ethanesulfonamide is NS(=O)(=O)CCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitroanilino)ethanesulfonamide?
The InChIKey is SLMDSOUXKOUHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c9-16(14,15)6-5-10-7-3-1-2-4-8(7)11(12)13/h1-4,10H,5-6H2,(H2,9,14,15).
What are the key properties of 2-(2-nitroanilino)ethanesulfonamide?
2-(2-nitroanilino)ethanesulfonamide has a molecular weight of 245.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroanilino)ethanesulfonamide is sourced from PubChem (CID 43552409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).