2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C20H22ClFN2O4S — CID 3149558

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H22ClFN2O4S/c21-16-7-9-18(10-8-16)29(26,27)24(13-15-4-1-2-6-19(15)22)14-20(25)23-12-17-5-3-11-28-17/h1-2,4,6-10,17H,3,5,11-14H2,(H,23,25)
InChIKeyTUYRVTQKGVBZSK-UHFFFAOYSA-N
MW440.92 g/mol
LogP2.97
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3149558) has the molecular formula C20H22ClFN2O4S and a molecular weight of 440.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3149558
Molecular FormulaC20H22ClFN2O4S
Molecular Weight440.92 g/mol
Exact Mass440.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H22ClFN2O4S/c21-16-7-9-18(10-8-16)29(26,27)24(13-15-4-1-2-6-19(15)22)14-20(25)23-12-17-5-3-11-28-17/h1-2,4,6-10,17H,3,5,11-14H2,(H,23,25)
InChIKeyTUYRVTQKGVBZSK-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 3149558) is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is TUYRVTQKGVBZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O4S/c21-16-7-9-18(10-8-16)29(26,27)24(13-15-4-1-2-6-19(15)22)14-20(25)23-12-17-5-3-11-28-17/h1-2,4,6-10,17H,3,5,11-14H2,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 440.92 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3149558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).