N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide

C16H13FN2O3S — CID 33314164

IUPACN-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H13FN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)16(20)19-15-6-4-3-5-14(15)17/h1,3-10,18H,11H2,(H,19,20)
InChIKeyAICZYTYONFFFDR-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.99
Rot. Bonds5

About N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 33314164) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID33314164
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H13FN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)16(20)19-15-6-4-3-5-14(15)17/h1,3-10,18H,11H2,(H,19,20)
InChIKeyAICZYTYONFFFDR-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 39498711
N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
N-(4-bromo-2-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46678558
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55837048
N-(1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804492
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 33314164) is N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is AICZYTYONFFFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)16(20)19-15-6-4-3-5-14(15)17/h1,3-10,18H,11H2,(H,19,20).
What are the key properties of N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 332.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 33314164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).