N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide

C18H20ClFN2O3S — CID 18083837

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-12-8-9-13(26(24,25)21(2)3)10-14(12)18(23)22(4)11-15-16(19)6-5-7-17(15)20/h5-10H,11H2,1-4H3
InChIKeyPSAVXMOJUCNTMQ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.31
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 18083837) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID18083837
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-12-8-9-13(26(24,25)21(2)3)10-14(12)18(23)22(4)11-15-16(19)6-5-7-17(15)20/h5-10H,11H2,1-4H3
InChIKeyPSAVXMOJUCNTMQ-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide (CID 18083837) is N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide is Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is PSAVXMOJUCNTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-12-8-9-13(26(24,25)21(2)3)10-14(12)18(23)22(4)11-15-16(19)6-5-7-17(15)20/h5-10H,11H2,1-4H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 18083837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).