4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide

C16H18N2O3S — CID 2996698

IUPAC4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-22(20,21)18-14-9-7-13(8-10-14)16(19)17-15-6-4-5-12(2)11-15/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyPBCSYFFIQCFFTC-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.01
Rot. Bonds5

About 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide

4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide (PubChem CID 2996698) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
PubChem CID2996698
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-22(20,21)18-14-9-7-13(8-10-14)16(19)17-15-6-4-5-12(2)11-15/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyPBCSYFFIQCFFTC-UHFFFAOYSA-N
XLogP3.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 47051930
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119438206
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
4-[(4-hydroxyphenyl)methyl]-N-(3-methylphenyl)benzamide
CID 167167317
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide (CID 2996698) is 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide is CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide?
The InChIKey is PBCSYFFIQCFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-22(20,21)18-14-9-7-13(8-10-14)16(19)17-15-6-4-5-12(2)11-15/h4-11,18H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide?
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide has a molecular weight of 318.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 2996698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).