N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide

C17H16N2O4S — CID 18147880

IUPACN-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)c1
InChIInChI=1S/C17H16N2O4S/c1-4-12-6-5-7-14(10-12)19-17(20)13-8-9-15(23-3)16(11-13)24(21,22)18-2/h1,5-11,18H,2-3H3,(H,19,20)
InChIKeyLSTVFNMYYFXCSY-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.84
Rot. Bonds5

About N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide

N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 18147880) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID18147880
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)c1
InChIInChI=1S/C17H16N2O4S/c1-4-12-6-5-7-14(10-12)19-17(20)13-8-9-15(23-3)16(11-13)24(21,22)18-2/h1,5-11,18H,2-3H3,(H,19,20)
InChIKeyLSTVFNMYYFXCSY-UHFFFAOYSA-N
XLogP1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
CID 30285125
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide (CID 18147880) is N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide is C#Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is LSTVFNMYYFXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-4-12-6-5-7-14(10-12)19-17(20)13-8-9-15(23-3)16(11-13)24(21,22)18-2/h1,5-11,18H,2-3H3,(H,19,20).
What are the key properties of N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 344.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 18147880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).