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

C16H17ClN2O3S — CID 36805136

IUPACN-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-3-23(21,22)19-14-6-4-5-12(9-14)16(20)18-13-8-7-11(2)15(17)10-13/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyFTYJBDZKOMVWAR-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.66
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide (PubChem CID 36805136) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
PubChem CID36805136
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-3-23(21,22)19-14-6-4-5-12(9-14)16(20)18-13-8-7-11(2)15(17)10-13/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyFTYJBDZKOMVWAR-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-(2-chlorophenyl)-3-(ethylsulfonylamino)benzamide
CID 36705442
1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea
CID 55910837
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
CID 2996698
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
1-N-(3-chloro-4-methylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056621
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide (CID 36805136) is N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide is CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide?
The InChIKey is FTYJBDZKOMVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-3-23(21,22)19-14-6-4-5-12(9-14)16(20)18-13-8-7-11(2)15(17)10-13/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide?
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide has a molecular weight of 352.84 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 36805136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).