N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide

C15H14N2O2S — CID 174599338

IUPACN-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide
SMILESC#Cc1ccc(NS(=O)(=O)c2ccc(NC)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-3-12-4-6-14(7-5-12)17-20(18,19)15-10-8-13(16-2)9-11-15/h1,4-11,16-17H,2H3
InChIKeyZKZPZKHUDOHZPB-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.51
Rot. Bonds4

About N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide

N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide (PubChem CID 174599338) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide
PubChem CID174599338
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide
SMILESC#Cc1ccc(NS(=O)(=O)c2ccc(NC)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-3-12-4-6-14(7-5-12)17-20(18,19)15-10-8-13(16-2)9-11-15/h1,4-11,16-17H,2H3
InChIKeyZKZPZKHUDOHZPB-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide 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-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
CID 102481786
N-[4-[[4-(methylamino)phenyl]methyl]phenyl]-4-(4-methylsulfonylphenyl)sulfonylbenzenesulfonamide
CID 59994933
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
N-(4-ethynylphenyl)-6-methylsulfonyl-1H-indole-3-sulfonamide
CID 135188134
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide (CID 174599338) is N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide is C#Cc1ccc(NS(=O)(=O)c2ccc(NC)cc2)cc1.
What is the InChIKey of N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide?
The InChIKey is ZKZPZKHUDOHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-12-4-6-14(7-5-12)17-20(18,19)15-10-8-13(16-2)9-11-15/h1,4-11,16-17H,2H3.
What are the key properties of N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide?
N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylphenyl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 174599338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).