2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide

C18H20Cl2N2O3S — CID 2266815

IUPAC2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-13(2)21-18(23)12-22(11-14-8-9-15(19)10-17(14)20)26(24,25)16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyRNRRZMWOVXJSPM-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.71
Rot. Bonds7

About 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide

2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 2266815) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID2266815
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-13(2)21-18(23)12-22(11-14-8-9-15(19)10-17(14)20)26(24,25)16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyRNRRZMWOVXJSPM-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide (CID 2266815) is 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is RNRRZMWOVXJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-13(2)21-18(23)12-22(11-14-8-9-15(19)10-17(14)20)26(24,25)16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 415.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 2266815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).