2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide

C18H18Cl2N2O3S — CID 1276261

IUPAC2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C18H18Cl2N2O3S/c19-14-5-9-16(10-6-14)26(24,25)22(12-18(23)21-15-7-8-15)11-13-3-1-2-4-17(13)20/h1-6,9-10,15H,7-8,11-12H2,(H,21,23)
InChIKeyQGCXNETYELDHDG-UHFFFAOYSA-N
MW413.33 g/mol
LogP3.46
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 1276261) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID1276261
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C18H18Cl2N2O3S/c19-14-5-9-16(10-6-14)26(24,25)22(12-18(23)21-15-7-8-15)11-13-3-1-2-4-17(13)20/h1-6,9-10,15H,7-8,11-12H2,(H,21,23)
InChIKeyQGCXNETYELDHDG-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide (CID 1276261) is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide is O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is QGCXNETYELDHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c19-14-5-9-16(10-6-14)26(24,25)22(12-18(23)21-15-7-8-15)11-13-3-1-2-4-17(13)20/h1-6,9-10,15H,7-8,11-12H2,(H,21,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 413.33 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 1276261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).