N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide

C21H17NO2S — CID 162354165

IUPACN-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide
SMILESC#CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO2S/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)25(23,24)22-20-7-4-3-5-8-20/h1,3-5,7-16,22H,6H2
InChIKeyMMWBNAYXOOYRLK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.33
Rot. Bonds5

About N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide

N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide (PubChem CID 162354165) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide
PubChem CID162354165
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC NameN-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide
SMILESC#CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO2S/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)25(23,24)22-20-7-4-3-5-8-20/h1,3-5,7-16,22H,6H2
InChIKeyMMWBNAYXOOYRLK-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenyl-4-(4-prop-2-ynylphenyl)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

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
CID 162354184
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid
CID 66675508
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
The IUPAC name of N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide (CID 162354165) is N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide.
What is the SMILES notation for N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
The canonical SMILES for N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide is C#CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
The InChIKey is MMWBNAYXOOYRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)25(23,24)22-20-7-4-3-5-8-20/h1,3-5,7-16,22H,6H2.
What are the key properties of N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide?
N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-prop-2-ynylphenyl)benzenesulfonamide is sourced from PubChem (CID 162354165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).