2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide

C18H20ClFN2O3S — CID 2300320

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-13(2)21-18(23)12-22(11-14-5-3-4-6-17(14)20)26(24,25)16-9-7-15(19)8-10-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyHKUHAVUUAWUMHX-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.19
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide

2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 2300320) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID2300320
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-13(2)21-18(23)12-22(11-14-5-3-4-6-17(14)20)26(24,25)16-9-7-15(19)8-10-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyHKUHAVUUAWUMHX-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide (CID 2300320) is 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is HKUHAVUUAWUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-13(2)21-18(23)12-22(11-14-5-3-4-6-17(14)20)26(24,25)16-9-7-15(19)8-10-16/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 398.89 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 2300320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).