1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide

C18H16ClNO2S2 — CID 71809985

IUPAC1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C18H16ClNO2S2/c19-18-8-4-2-6-16(18)13-24(21,22)20-11-14-5-1-3-7-17(14)15-9-10-23-12-15/h1-10,12,20H,11,13H2
InChIKeyGIRWPHCLEDUJCK-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.69
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide (PubChem CID 71809985) has the molecular formula C18H16ClNO2S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide
PubChem CID71809985
Molecular FormulaC18H16ClNO2S2
Molecular Weight377.92 g/mol
Exact Mass377.03
IUPAC Name1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C18H16ClNO2S2/c19-18-8-4-2-6-16(18)13-24(21,22)20-11-14-5-1-3-7-17(14)15-9-10-23-12-15/h1-10,12,20H,11,13H2
InChIKeyGIRWPHCLEDUJCK-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide (CID 71809985) is 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide?
The InChIKey is GIRWPHCLEDUJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S2/c19-18-8-4-2-6-16(18)13-24(21,22)20-11-14-5-1-3-7-17(14)15-9-10-23-12-15/h1-10,12,20H,11,13H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide has a molecular weight of 377.92 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 71809985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).