N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide

C16H17ClN2O3S — CID 13322326

IUPACN-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)23(21,22)19-15-5-3-4-12(10-15)16(20)18-14-8-6-13(17)7-9-14/h3-11,19H,1-2H3,(H,18,20)
InChIKeyMLGYKJMNKOQXEX-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.74
Rot. Bonds5

About N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide

N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide (PubChem CID 13322326) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide
PubChem CID13322326
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)23(21,22)19-15-5-3-4-12(10-15)16(20)18-14-8-6-13(17)7-9-14/h3-11,19H,1-2H3,(H,18,20)
InChIKeyMLGYKJMNKOQXEX-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide (CID 13322326) is N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide is CC(C)S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is MLGYKJMNKOQXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11(2)23(21,22)19-15-5-3-4-12(10-15)16(20)18-14-8-6-13(17)7-9-14/h3-11,19H,1-2H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide?
N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 352.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 13322326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).