3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide

C20H19N3O4S — CID 133442145

IUPAC3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H19N3O4S/c21-28(26,27)19-13-7-12-18(20(19)23(24)25)22-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,22H,14H2,(H2,21,26,27)
InChIKeyNFZPHLYKMMTDJB-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.49
Rot. Bonds7

About 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide

3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide (PubChem CID 133442145) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide
PubChem CID133442145
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H19N3O4S/c21-28(26,27)19-13-7-12-18(20(19)23(24)25)22-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,22H,14H2,(H2,21,26,27)
InChIKeyNFZPHLYKMMTDJB-UHFFFAOYSA-N
XLogP3.49
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.49
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

3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-nitrobenzenesulfonamide
CID 133443248
2-nitro-3-(3-phenylprop-2-enylamino)benzenesulfonamide
CID 91941586
3-[(1-methylcyclobutyl)methylamino]-2-nitrobenzenesulfonamide
CID 86790973
3-(1-benzofuran-2-ylmethylamino)-2-nitrobenzenesulfonamide
CID 75522217
N-[2-(3-methylphenyl)propyl]-3-methylsulfonyl-2-nitroaniline
CID 133414133
2-nitro-3-[(1-phenylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 133442099
N'-(3-fluoro-2-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 60578967
3-[2-(3-fluorophenyl)ethylamino]-2-nitrobenzenesulfonamide
CID 75477742
N-(2-methoxy-3,3-dimethylbutyl)-3-methylsulfonyl-2-nitroaniline
CID 133414263
[1-[(3-methylsulfonyl-2-nitroanilino)methyl]cyclopropyl]-phenylmethanol
CID 133414551
3-[[6-(methylamino)-3-pyridinyl]amino]-2-nitrobenzenesulfonamide
CID 133466577
1-(4-fluorophenyl)-2-(3-methylsulfonyl-2-nitroanilino)ethanol
CID 133393423

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide (CID 133442145) is 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide is NS(=O)(=O)c1cccc(NCC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide?
The InChIKey is NFZPHLYKMMTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c21-28(26,27)19-13-7-12-18(20(19)23(24)25)22-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,22H,14H2,(H2,21,26,27).
What are the key properties of 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide?
3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethylamino)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 133442145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).