N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide

C16H17NO3S — CID 34166968

IUPACN-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
SMILESCc1cccc(CNC(=O)c2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C16H17NO3S/c1-12-6-5-7-13(10-12)11-17-16(18)14-8-3-4-9-15(14)21(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyFKERUWRODIUJQB-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.33
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide

N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide (PubChem CID 34166968) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
PubChem CID34166968
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
SMILESCc1cccc(CNC(=O)c2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C16H17NO3S/c1-12-6-5-7-13(10-12)11-17-16(18)14-8-3-4-9-15(14)21(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyFKERUWRODIUJQB-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(butanoylamino)phenyl]methyl]-2-methylsulfonylbenzamide
CID 87001535
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 51143121
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide (CID 34166968) is N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide is Cc1cccc(CNC(=O)c2ccccc2S(C)(=O)=O)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide?
The InChIKey is FKERUWRODIUJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-6-5-7-13(10-12)11-17-16(18)14-8-3-4-9-15(14)21(2,19)20/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide?
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide has a molecular weight of 303.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 34166968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).