N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine

C18H22ClFN2O2S — CID 112811356

IUPACN-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H22ClFN2O2S/c1-3-12-22(13-15-8-5-4-6-9-15)25(23,24)21(2)14-16-17(19)10-7-11-18(16)20/h4-11H,3,12-14H2,1-2H3
InChIKeyHRPNHWRDXBULAG-UHFFFAOYSA-N
MW384.90 g/mol
LogP4.07
Rot. Bonds8

About N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine

N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine (PubChem CID 112811356) has the molecular formula C18H22ClFN2O2S and a molecular weight of 384.90 g/mol. Its IUPAC name is N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine
PubChem CID112811356
Molecular FormulaC18H22ClFN2O2S
Molecular Weight384.90 g/mol
Exact Mass384.11
IUPAC NameN-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H22ClFN2O2S/c1-3-12-22(13-15-8-5-4-6-9-15)25(23,24)21(2)14-16-17(19)10-7-11-18(16)20/h4-11H,3,12-14H2,1-2H3
InChIKeyHRPNHWRDXBULAG-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.90
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine?
The IUPAC name of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine (CID 112811356) is N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine is CCCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine?
The InChIKey is HRPNHWRDXBULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O2S/c1-3-12-22(13-15-8-5-4-6-9-15)25(23,24)21(2)14-16-17(19)10-7-11-18(16)20/h4-11H,3,12-14H2,1-2H3.
What are the key properties of N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine?
N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine has a molecular weight of 384.90 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]propan-1-amine is sourced from PubChem (CID 112811356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).