N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide

C18H17FN2O3S — CID 33319345

IUPACN-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C18H17FN2O3S/c1-2-11-21-25(23,24)17-8-6-15(7-9-17)18(22)20-12-10-14-4-3-5-16(19)13-14/h1,3-9,13,21H,10-12H2,(H,20,22)
InChIKeyHPNTZQKDSCHMCP-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.71
Rot. Bonds7

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

N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 33319345) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID33319345
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C18H17FN2O3S/c1-2-11-21-25(23,24)17-8-6-15(7-9-17)18(22)20-12-10-14-4-3-5-16(19)13-14/h1,3-9,13,21H,10-12H2,(H,20,22)
InChIKeyHPNTZQKDSCHMCP-UHFFFAOYSA-N
XLogP1.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.71
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-(3-fluorophenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27023537
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 38257742
3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
CID 55948629
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 33319345) is N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is HPNTZQKDSCHMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-2-11-21-25(23,24)17-8-6-15(7-9-17)18(22)20-12-10-14-4-3-5-16(19)13-14/h1,3-9,13,21H,10-12H2,(H,20,22).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 360.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 33319345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).