1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide

C21H20N2O4S — CID 56587034

IUPAC1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(CS(=O)(=O)N(CCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c24-23(25)21-13-11-19(12-14-21)17-28(26,27)22(20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2
InChIKeyRNPSQBACWUQDFI-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.17
Rot. Bonds8

About 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide

1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide (PubChem CID 56587034) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide
PubChem CID56587034
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(CS(=O)(=O)N(CCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c24-23(25)21-13-11-19(12-14-21)17-28(26,27)22(20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2
InChIKeyRNPSQBACWUQDFI-UHFFFAOYSA-N
XLogP4.17
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 154750058
1-(4-nitrophenyl)-N,N-dipropylmethanesulfonamide
CID 52561105
N-phenyl-N-(2-phenylethyl)methanesulfonamide
CID 60602422
3-methyl-5-[(4-nitrophenyl)-(2-phenylethyl)sulfamoyl]-1-benzofuran-2-carboxylic acid
CID 175493816
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
N-benzyl-3,5-dinitro-N-phenylbenzenesulfonamide
CID 23206295
N-(2-bromoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 23104465
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide (CID 56587034) is 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide is O=[N+]([O-])c1ccc(CS(=O)(=O)N(CCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is RNPSQBACWUQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-23(25)21-13-11-19(12-14-21)17-28(26,27)22(20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2.
What are the key properties of 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide?
1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-phenyl-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 56587034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).