N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

C17H15FN2O3S — CID 27009215

IUPACN-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H15FN2O3S/c1-2-10-20-24(22,23)15-8-5-7-13(11-15)17(21)19-12-14-6-3-4-9-16(14)18/h1,3-9,11,20H,10,12H2,(H,19,21)
InChIKeyWODGURFKDDLSIO-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.67
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 27009215) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID27009215
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H15FN2O3S/c1-2-10-20-24(22,23)15-8-5-7-13(11-15)17(21)19-12-14-6-3-4-9-16(14)18/h1,3-9,11,20H,10,12H2,(H,19,21)
InChIKeyWODGURFKDDLSIO-UHFFFAOYSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.67
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-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 31114867
N-[2-(3-fluorophenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27023537
N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46590064
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38274587
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-(prop-2-ynylsulfamoyl)benzoate
CID 55489283

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 27009215) is N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is WODGURFKDDLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-2-10-20-24(22,23)15-8-5-7-13(11-15)17(21)19-12-14-6-3-4-9-16(14)18/h1,3-9,11,20H,10,12H2,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 346.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 27009215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).