N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide

C16H13FN2O3S — CID 27006401

IUPACN-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O3S/c1-2-10-18-23(21,22)15-5-3-4-12(11-15)16(20)19-14-8-6-13(17)7-9-14/h1,3-9,11,18H,10H2,(H,19,20)
InChIKeyCXCWLCUOYGCEFJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.99
Rot. Bonds5

About N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide

N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 27006401) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID27006401
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O3S/c1-2-10-18-23(21,22)15-5-3-4-12(11-15)16(20)19-14-8-6-13(17)7-9-14/h1,3-9,11,18H,10H2,(H,19,20)
InChIKeyCXCWLCUOYGCEFJ-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-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55767178
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109064559
3-(prop-2-ynylsulfamoyl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 60576219
N-(2-propan-2-yloxyphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 39498618
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
N-[(4-fluorophenyl)methyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 51270481

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide (CID 27006401) is N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is CXCWLCUOYGCEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-2-10-18-23(21,22)15-5-3-4-12(11-15)16(20)19-14-8-6-13(17)7-9-14/h1,3-9,11,18H,10H2,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
N-(4-fluorophenyl)-3-(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-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 27006401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).