N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide

C15H13NO3S — CID 102481786

IUPACN-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
SMILESC#Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H13NO3S/c1-3-12-4-6-13(7-5-12)16-20(17,18)15-10-8-14(19-2)9-11-15/h1,4-11,16H,2H3
InChIKeySKXVBWCJGBOTSW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.48
Rot. Bonds4

About N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide

N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 102481786) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
PubChem CID102481786
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC NameN-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
SMILESC#Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H13NO3S/c1-3-12-4-6-13(7-5-12)16-20(17,18)15-10-8-14(19-2)9-11-15/h1,4-11,16H,2H3
InChIKeySKXVBWCJGBOTSW-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide (CID 102481786) is N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide is C#Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is SKXVBWCJGBOTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-3-12-4-6-13(7-5-12)16-20(17,18)15-10-8-14(19-2)9-11-15/h1,4-11,16H,2H3.
What are the key properties of N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide?
N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102481786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).