N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide

C16H17ClN2O3S — CID 1095186

IUPACN-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19(15-9-7-14(17)8-10-15)12-16(20)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyNGPWRFYKAHFGIB-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.42
Rot. Bonds6

About N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide

N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide (PubChem CID 1095186) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide
PubChem CID1095186
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19(15-9-7-14(17)8-10-15)12-16(20)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyNGPWRFYKAHFGIB-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide (CID 1095186) is N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
The InChIKey is NGPWRFYKAHFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-23(21,22)19(15-9-7-14(17)8-10-15)12-16(20)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide has a molecular weight of 352.84 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1095186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).