1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine

C14H14Cl2N2O2S — CID 1488542

IUPAC1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine
SMILESO=S(=O)(NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-13-5-1-11(2-6-13)9-17-21(19,20)18-10-12-3-7-14(16)8-4-12/h1-8,17-18H,9-10H2
InChIKeyJOPQPFGZQOHNGH-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine (PubChem CID 1488542) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine
PubChem CID1488542
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine
SMILESO=S(=O)(NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-13-5-1-11(2-6-13)9-17-21(19,20)18-10-12-3-7-14(16)8-4-12/h1-8,17-18H,9-10H2
InChIKeyJOPQPFGZQOHNGH-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 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine (CID 1488542) is 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine is O=S(=O)(NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine?
The InChIKey is JOPQPFGZQOHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-13-5-1-11(2-6-13)9-17-21(19,20)18-10-12-3-7-14(16)8-4-12/h1-8,17-18H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine?
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine 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 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methylsulfamoyl]methanamine is sourced from PubChem (CID 1488542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).