N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine

C14H14Cl2N2O2S — CID 1488549

IUPACN-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine
SMILESO=S(=O)(NCc1ccccc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c15-13-7-6-12(14(16)8-13)10-18-21(19,20)17-9-11-4-2-1-3-5-11/h1-8,17-18H,9-10H2
InChIKeyBQFYWPCNCGBJKS-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.12
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine

N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine (PubChem CID 1488549) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine
PubChem CID1488549
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine
SMILESO=S(=O)(NCc1ccccc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c15-13-7-6-12(14(16)8-13)10-18-21(19,20)17-9-11-4-2-1-3-5-11/h1-8,17-18H,9-10H2
InChIKeyBQFYWPCNCGBJKS-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine (CID 1488549) is N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine is O=S(=O)(NCc1ccccc1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine?
The InChIKey is BQFYWPCNCGBJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-13-7-6-12(14(16)8-13)10-18-21(19,20)17-9-11-4-2-1-3-5-11/h1-8,17-18H,9-10H2.
What are the key properties of N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine?
N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine has a molecular weight of 345.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylsulfamoyl]-1-phenylmethanamine is sourced from PubChem (CID 1488549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).