N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide

C27H21N3O3S — CID 10972684

IUPACN-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
SMILESNc1ccccc1NC(=O)C#Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H21N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-11,13-18,30H,28H2,(H,29,31)
InChIKeyDMOIWKDIGHSYIE-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.73
Rot. Bonds5

About N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide

N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide (PubChem CID 10972684) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
PubChem CID10972684
Molecular FormulaC27H21N3O3S
Molecular Weight467.55 g/mol
Exact Mass467.13
IUPAC NameN-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
SMILESNc1ccccc1NC(=O)C#Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H21N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-11,13-18,30H,28H2,(H,29,31)
InChIKeyDMOIWKDIGHSYIE-UHFFFAOYSA-N
XLogP4.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
CID 4146
N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfanylamino]phenyl]prop-2-ynamide
CID 142065123
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
CID 158521764
N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 1472868
2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 11540637
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
CID 61129572
N-(2-aminophenyl)but-2-ynamide
CID 90330903
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
The IUPAC name of N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide (CID 10972684) is N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
The canonical SMILES for N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide is Nc1ccccc1NC(=O)C#Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
The InChIKey is DMOIWKDIGHSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-11,13-18,30H,28H2,(H,29,31).
What are the key properties of N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide has a molecular weight of 467.55 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide is sourced from PubChem (CID 10972684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).