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

C16H17ClN2O3S — CID 47067377

IUPAC4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H17ClN2O3S/c1-3-23(21,22)19-15-9-8-14(10-11(15)2)18-16(20)12-4-6-13(17)7-5-12/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyGENBPYUSBOZQDE-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.66
Rot. Bonds5

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

4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (PubChem CID 47067377) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
PubChem CID47067377
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H17ClN2O3S/c1-3-23(21,22)19-15-9-8-14(10-11(15)2)18-16(20)12-4-6-13(17)7-5-12/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyGENBPYUSBOZQDE-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (CID 47067377) is 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The InChIKey is GENBPYUSBOZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-3-23(21,22)19-15-9-8-14(10-11(15)2)18-16(20)12-4-6-13(17)7-5-12/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]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 4-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is sourced from PubChem (CID 47067377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).