N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide

C16H17NO3S — CID 110667350

IUPACN-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-21(19,20)17-12-11-13-7-9-15(10-8-13)16(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeySZVKHDUJLKGPSF-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide

N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide (PubChem CID 110667350) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
PubChem CID110667350
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-21(19,20)17-12-11-13-7-9-15(10-8-13)16(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeySZVKHDUJLKGPSF-UHFFFAOYSA-N
XLogP2.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 18113163
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate
CID 27614893
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 167811683
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
CID 42922412
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide (CID 110667350) is N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide?
The InChIKey is SZVKHDUJLKGPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-21(19,20)17-12-11-13-7-9-15(10-8-13)16(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3.
What are the key properties of N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide?
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 110667350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).