N-(3-ethylphenyl)-4-methylsulfonylbenzamide

C16H17NO3S — CID 26880057

IUPACN-(3-ethylphenyl)-4-methylsulfonylbenzamide
SMILESCCc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H17NO3S/c1-3-12-5-4-6-14(11-12)17-16(18)13-7-9-15(10-8-13)21(2,19)20/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeySTGJPZPUEAWFHQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.90
Rot. Bonds4

About N-(3-ethylphenyl)-4-methylsulfonylbenzamide

N-(3-ethylphenyl)-4-methylsulfonylbenzamide (PubChem CID 26880057) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-methylsulfonylbenzamide
PubChem CID26880057
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(3-ethylphenyl)-4-methylsulfonylbenzamide
SMILESCCc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H17NO3S/c1-3-12-5-4-6-14(11-12)17-16(18)13-7-9-15(10-8-13)21(2,19)20/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeySTGJPZPUEAWFHQ-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
4-[(diaminomethylideneamino)methyl]-N-(3-ethylphenyl)benzamide
CID 70420716
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
CID 24616145

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(3-ethylphenyl)-4-methylsulfonylbenzamide (CID 26880057) is N-(3-ethylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(3-ethylphenyl)-4-methylsulfonylbenzamide is CCc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is STGJPZPUEAWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-3-12-5-4-6-14(11-12)17-16(18)13-7-9-15(10-8-13)21(2,19)20/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethylphenyl)-4-methylsulfonylbenzamide?
N-(3-ethylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 303.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 26880057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).