N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide

C14H15N3O6S2 — CID 2225731

IUPACN-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H15N3O6S2/c1-2-15-24(20,21)13-7-3-11(4-8-13)16-25(22,23)14-9-5-12(6-10-14)17(18)19/h3-10,15-16H,2H2,1H3
InChIKeyAIMNCWLMUHMRPA-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.69
Rot. Bonds7

About N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide

N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide (PubChem CID 2225731) has the molecular formula C14H15N3O6S2 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
PubChem CID2225731
Molecular FormulaC14H15N3O6S2
Molecular Weight385.42 g/mol
Exact Mass385.04
IUPAC NameN-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H15N3O6S2/c1-2-15-24(20,21)13-7-3-11(4-8-13)16-25(22,23)14-9-5-12(6-10-14)17(18)19/h3-10,15-16H,2H2,1H3
InChIKeyAIMNCWLMUHMRPA-UHFFFAOYSA-N
XLogP1.69
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
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

N-butyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 4294887
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582
N-butan-2-yl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 3384458
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
4-nitro-N-(4-pentoxyphenyl)benzenesulfonamide
CID 19169192
N-(4-nitrophenyl)ethanesulfonamide
CID 521811
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
N-(2-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 113492787
butyl 4-[(4-nitrophenyl)sulfonylamino]benzoate
CID 3688898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide (CID 2225731) is N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is AIMNCWLMUHMRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S2/c1-2-15-24(20,21)13-7-3-11(4-8-13)16-25(22,23)14-9-5-12(6-10-14)17(18)19/h3-10,15-16H,2H2,1H3.
What are the key properties of N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 385.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 2225731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).