N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

C16H17FN2O3S — CID 18100481

IUPACN-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-23(21,22)18-11-10-12-2-4-13(5-3-12)16(20)19-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyIINSNXUYPVCEOM-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.17
Rot. Bonds6

About N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 18100481) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID18100481
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-23(21,22)18-11-10-12-2-4-13(5-3-12)16(20)19-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyIINSNXUYPVCEOM-UHFFFAOYSA-N
XLogP2.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
N-(2,5-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17457009
N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005483
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005558
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 166182463
4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(9H-fluoren-3-yl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 25483410

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (CID 18100481) is N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is IINSNXUYPVCEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-23(21,22)18-11-10-12-2-4-13(5-3-12)16(20)19-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 18100481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).