2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide

C17H14F2N2O4S — CID 90580636

IUPAC2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide
SMILESNC(=O)c1ccccc1OCC#CCNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O4S/c18-12-7-8-16(14(19)11-12)26(23,24)21-9-3-4-10-25-15-6-2-1-5-13(15)17(20)22/h1-2,5-8,11,21H,9-10H2,(H2,20,22)
InChIKeyNDVJFJBIBXAHSL-UHFFFAOYSA-N
MW380.37 g/mol
LogP1.42
Rot. Bonds6

About 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide

2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide (PubChem CID 90580636) has the molecular formula C17H14F2N2O4S and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide
PubChem CID90580636
Molecular FormulaC17H14F2N2O4S
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC Name2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide
SMILESNC(=O)c1ccccc1OCC#CCNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O4S/c18-12-7-8-16(14(19)11-12)26(23,24)21-9-3-4-10-25-15-6-2-1-5-13(15)17(20)22/h1-2,5-8,11,21H,9-10H2,(H2,20,22)
InChIKeyNDVJFJBIBXAHSL-UHFFFAOYSA-N
XLogP1.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 51.42
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

2-[4-[(2,5-difluorophenyl)methylsulfonylamino]but-2-ynoxy]benzamide
CID 90580670
2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 71803327
2-[4-[(2,4-dichloro-5-methylphenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 71803322
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-4-fluorobenzenesulfonamide
CID 90577897
2-but-2-ynoxybenzamide
CID 177469094
2-(4-aminobut-2-ynoxy)benzamide
CID 126851898
N-[4-(2,4-difluorophenoxy)but-2-ynyl]methanesulfonamide
CID 90577892
5-fluoro-2-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)benzenesulfonamide
CID 90578313
methyl 3-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90577959
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62665959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide (CID 90580636) is 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide is NC(=O)c1ccccc1OCC#CCNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide?
The InChIKey is NDVJFJBIBXAHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4S/c18-12-7-8-16(14(19)11-12)26(23,24)21-9-3-4-10-25-15-6-2-1-5-13(15)17(20)22/h1-2,5-8,11,21H,9-10H2,(H2,20,22).
What are the key properties of 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide?
2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide has a molecular weight of 380.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide is sourced from PubChem (CID 90580636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).