2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide

C18H20ClNO3S2 — CID 155540685

IUPAC2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO3S2/c1-18(2,25(22,23)14-8-4-3-5-9-14)17(21)20-12-13-24-16-11-7-6-10-15(16)19/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeySNOAOEVDMOKOQT-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.80
Rot. Bonds7

About 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide

2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide (PubChem CID 155540685) has the molecular formula C18H20ClNO3S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide
PubChem CID155540685
Molecular FormulaC18H20ClNO3S2
Molecular Weight397.95 g/mol
Exact Mass397.06
IUPAC Name2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO3S2/c1-18(2,25(22,23)14-8-4-3-5-9-14)17(21)20-12-13-24-16-11-7-6-10-15(16)19/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeySNOAOEVDMOKOQT-UHFFFAOYSA-N
XLogP3.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide (CID 155540685) is 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide is CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
The InChIKey is SNOAOEVDMOKOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S2/c1-18(2,25(22,23)14-8-4-3-5-9-14)17(21)20-12-13-24-16-11-7-6-10-15(16)19/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide has a molecular weight of 397.95 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[2-(2-chlorophenyl)sulfanylethyl]-2-methylpropanamide is sourced from PubChem (CID 155540685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).