2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C20H23ClN2O4S — CID 3130118

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H23ClN2O4S/c21-17-8-10-19(11-9-17)28(25,26)23(14-16-5-2-1-3-6-16)15-20(24)22-13-18-7-4-12-27-18/h1-3,5-6,8-11,18H,4,7,12-15H2,(H,22,24)
InChIKeyISNRISZFKYZBNN-UHFFFAOYSA-N
MW422.93 g/mol
LogP2.83
Rot. Bonds8

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3130118) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3130118
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H23ClN2O4S/c21-17-8-10-19(11-9-17)28(25,26)23(14-16-5-2-1-3-6-16)15-20(24)22-13-18-7-4-12-27-18/h1-3,5-6,8-11,18H,4,7,12-15H2,(H,22,24)
InChIKeyISNRISZFKYZBNN-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 3130118) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ISNRISZFKYZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c21-17-8-10-19(11-9-17)28(25,26)23(14-16-5-2-1-3-6-16)15-20(24)22-13-18-7-4-12-27-18/h1-3,5-6,8-11,18H,4,7,12-15H2,(H,22,24).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 422.93 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3130118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).