4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide

C17H16N2O4S — CID 90553480

IUPAC4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide
SMILESCOc1ccccc1S(=O)(=O)NCC#Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-23-15-6-2-3-7-16(15)24(21,22)19-12-4-5-13-8-10-14(11-9-13)17(18)20/h2-3,6-11,19H,12H2,1H3,(H2,18,20)
InChIKeySHEHHPAATFRFDF-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.12
Rot. Bonds5

About 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide

4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide (PubChem CID 90553480) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide.

Molecular Properties

Compound Name4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide
PubChem CID90553480
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide
SMILESCOc1ccccc1S(=O)(=O)NCC#Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-23-15-6-2-3-7-16(15)24(21,22)19-12-4-5-13-8-10-14(11-9-13)17(18)20/h2-3,6-11,19H,12H2,1H3,(H2,18,20)
InChIKeySHEHHPAATFRFDF-UHFFFAOYSA-N
XLogP1.12
TPSA98.49 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 ≤ 51.12
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

4-[3-[(3,4-dimethylphenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553453
2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554610
4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553473
4-[3-[(3-chlorophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553487
4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
4-[3-(cyclopropylsulfonylamino)prop-1-ynyl]benzamide
CID 90553482
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
4-[3-[(2,3-dimethoxyphenyl)carbamoylamino]prop-1-ynyl]benzamide
CID 90553408
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
2-[3-[(5-fluoro-2-methoxyphenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553698

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide?
The IUPAC name of 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide (CID 90553480) is 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide.
What is the SMILES notation for 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide?
The canonical SMILES for 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide is COc1ccccc1S(=O)(=O)NCC#Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide?
The InChIKey is SHEHHPAATFRFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-23-15-6-2-3-7-16(15)24(21,22)19-12-4-5-13-8-10-14(11-9-13)17(18)20/h2-3,6-11,19H,12H2,1H3,(H2,18,20).
What are the key properties of 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide?
4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide is sourced from PubChem (CID 90553480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).